#------------------------------------------------------------------------------
#$Date: 2024-08-05 21:30:25 +0300 (Mon, 05 Aug 2024) $
#$Revision: 293805 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/88/7248899.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7248899
loop_
_publ_author_name
'Gou, Yangyang'
'Gao, Ming'
'Wu, Yunlong'
'Zhou, Wei'
'Feng, Jiancheng'
'Zhang, Sheng'
'Wang, Xiaohong'
'Yin, Bing'
_publ_section_title
;
 Construction of porous 2D Dy3+ metal organic frameworks: solvent
 responsive magnetic dynamics under 0 Oe dc field and luminescent sensors
 for Fe3+ ions
;
_journal_issue                   30
_journal_name_full               CrystEngComm
_journal_page_first              4057
_journal_page_last               4072
_journal_paper_doi               10.1039/D4CE00556B
_journal_volume                  26
_journal_year                    2024
_chemical_formula_sum            'C204 H195 Dy4 N9 O36'
_chemical_formula_weight         3998.68
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-05-28 deposited with the CCDC.	2024-06-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.8576(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   40.69949(12)
_cell_length_b                   18.17532(6)
_cell_length_c                   25.71644(9)
_cell_measurement_reflns_used    182094
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      74.2000
_cell_measurement_theta_min      2.4550
_cell_volume                     18682.58(11)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  multi-scan
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_unetI/netI     0.0179
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            464736
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.472
_diffrn_reflns_theta_min         2.671
_exptl_absorpt_coefficient_mu    9.030
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_description       block
_exptl_crystal_F_000             8136
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.884
_refine_diff_density_min         -0.776
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.162
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2453
_refine_ls_number_reflns         36591
_refine_ls_number_restraints     751
_refine_ls_restrained_S_all      1.179
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0638P)²+4.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0970
_refine_ls_wR_factor_ref         0.0986
_reflns_Friedel_coverage         0.000
_reflns_number_gt                34354
_reflns_number_total             36591
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00556b3.cif
_cod_data_source_block           x_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7248898--7248899.cif.'
_cod_original_cell_volume        18682.58(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7248899
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.27779(2) 0.56932(2) 0.50016(2) 0.02930(4) Uani 1 1 d . . . . .
Dy2 Dy 0.27440(2) 0.31148(2) 0.50871(2) 0.03495(4) Uani 1 1 d . . . . .
Dy3 Dy 0.23641(2) 0.72043(2) -0.01830(2) 0.03182(4) Uani 1 1 d . . . . .
Dy4 Dy 0.21509(2) 0.39643(2) -0.01047(2) 0.02884(4) Uani 1 1 d . . . . .
O1 O 0.21432(6) 0.70383(12) 0.53987(9) 0.0517(5) Uani 1 1 d . . . . .
O2 O 0.23402(6) 0.58888(13) 0.54204(9) 0.0561(5) Uani 1 1 d . . . . .
O3 O 0.21026(6) 0.49954(12) 0.91471(8) 0.0544(5) Uani 1 1 d . . . . .
O4 O 0.17362(7) 0.41315(14) 0.91255(9) 0.0661(7) Uani 1 1 d . . . . .
O5 O 0.23942(6) 0.55791(12) 0.41936(9) 0.0574(6) Uani 1 1 d . . . . .
O6 O 0.22725(6) 0.67232(13) 0.43607(8) 0.0556(5) Uani 1 1 d . . . . .
O7 O 0.20560(5) 0.50685(10) 0.02626(8) 0.0436(4) Uani 1 1 d . . . . .
O8 O 0.22368(6) 0.62147(11) 0.02671(9) 0.0499(5) Uani 1 1 d . . . . .
O9 O 0.30483(5) 0.50884(11) 0.57489(7) 0.0481(5) Uani 1 1 d . . . . .
O10 O 0.29507(6) 0.38818(12) 0.57746(8) 0.0540(5) Uani 1 1 d . . . . .
O11 O 0.27994(5) 0.27327(11) 0.94513(9) 0.0478(5) Uani 1 1 d . . . . .
O12 O 0.25809(5) 0.38532(12) 0.94330(9) 0.0526(5) Uani 1 1 d . . . . .
O13 O 0.31365(5) 0.49880(10) 0.46108(8) 0.0451(4) Uani 1 1 d . . . . .
O14 O 0.29217(6) 0.38682(12) 0.45036(9) 0.0564(6) Uani 1 1 d . . . . .
O15 O 0.26291(5) 0.41337(14) 0.05684(9) 0.0585(6) Uani 1 1 d . . . . .
O16 O 0.27622(5) 0.29576(13) 0.05320(9) 0.0566(6) Uani 1 1 d . . . . .
O17 O 0.22599(5) 0.16804(10) -0.05552(8) 0.0432(4) Uani 1 1 d . . . . .
O18 O 0.20611(5) 0.27630(10) -0.03895(8) 0.0451(4) Uani 1 1 d . . . . .
O19 O 0.20568(5) 0.17432(12) -0.43332(8) 0.0467(5) Uani 1 1 d . . . . .
O20 O 0.16122(5) 0.12266(11) -0.47976(8) 0.0444(4) Uani 1 1 d . . . . .
O21 O 0.27896(6) 0.71851(14) 0.05324(9) 0.0609(6) Uani 1 1 d . . . . .
O22 O 0.29629(8) 0.83302(14) 0.05201(10) 0.0736(7) Uani 1 1 d . . . . .
O23 O 0.28317(5) 0.76456(11) 0.43981(9) 0.0502(5) Uani 1 1 d . . . . .
O24 O 0.30036(6) 0.64868(12) 0.44916(10) 0.0629(6) Uani 1 1 d . . . . .
O25 O 0.24406(6) 0.45476(13) 0.49829(9) 0.0536(5) Uani 1 1 d D . . . .
H25A H 0.2301(7) 0.473(2) 0.5144(12) 0.080 Uiso 1 1 d D U . . .
H25B H 0.2362(9) 0.447(2) 0.4668(6) 0.080 Uiso 1 1 d D U . . .
O1W O 0.23217(6) 0.31812(13) 0.56286(9) 0.0530(5) Uani 1 1 d D . . . .
H1A H 0.2375(10) 0.3344(18) 0.5932(7) 0.079 Uiso 1 1 d D U . . .
H1B H 0.2230(10) 0.2773(12) 0.5618(14) 0.079 Uiso 1 1 d D U . . .
O2W O 0.23620(7) 0.63186(14) -0.08375(9) 0.0626(7) Uani 1 1 d D . . . .
H2A H 0.2451(11) 0.642(2) -0.1089(12) 0.094 Uiso 1 1 d D U . . .
H2B H 0.2300(11) 0.5886(10) -0.0835(16) 0.094 Uiso 1 1 d D U . . .
C1 C 0.21450(7) 0.63756(16) 0.55323(11) 0.0421(6) Uani 1 1 d . . . . .
C2 C 0.18910(7) 0.61292(15) 0.58485(11) 0.0382(6) Uani 1 1 d . . . . .
C3 C 0.19161(7) 0.54438(17) 0.60885(12) 0.0466(7) Uani 1 1 d . . . . .
H3 H 0.208994 0.512970 0.604818 0.056 Uiso 1 1 calc R U . . .
C4 C 0.16856(7) 0.52240(17) 0.63863(12) 0.0464(7) Uani 1 1 d . . . . .
H4 H 0.170775 0.476585 0.655023 0.056 Uiso 1 1 calc R U . . .
C5 C 0.14192(7) 0.56803(15) 0.64450(11) 0.0390(6) Uani 1 1 d . . . . .
C6 C 0.13940(7) 0.63628(16) 0.62021(12) 0.0467(7) Uani 1 1 d . . . . .
H6 H 0.121686 0.667155 0.623515 0.056 Uiso 1 1 calc R U . . .
C7 C 0.16280(7) 0.65923(16) 0.59112(12) 0.0450(6) Uani 1 1 d . . . . .
H7 H 0.161013 0.705691 0.575686 0.054 Uiso 1 1 calc R U . . .
C8 C 0.11816(7) 0.54657(16) 0.67942(11) 0.0392(6) Uani 1 1 d . . . . .
C9 C 0.13472(6) 0.52697(15) 0.73426(10) 0.0371(5) Uani 1 1 d . . . . .
C10 C 0.12649(7) 0.46331(16) 0.75859(11) 0.0447(6) Uani 1 1 d . . . . .
H10 H 0.109906 0.432453 0.740697 0.054 Uiso 1 1 calc R U . . .
C11 C 0.14272(8) 0.44514(16) 0.80932(12) 0.0459(7) Uani 1 1 d . . . . .
H11 H 0.136711 0.402396 0.825081 0.055 Uiso 1 1 calc R U . . .
C12 C 0.16756(7) 0.48926(15) 0.83678(10) 0.0383(5) Uani 1 1 d . . . . .
C13 C 0.17648(8) 0.55222(16) 0.81257(12) 0.0490(7) Uani 1 1 d . . . . .
H13 H 0.193283 0.582577 0.830439 0.059 Uiso 1 1 calc R U . . .
C14 C 0.16049(8) 0.57005(17) 0.76196(12) 0.0495(7) Uani 1 1 d . . . . .
H14 H 0.167102 0.611965 0.745916 0.059 Uiso 1 1 calc R U . . .
C15 C 0.18496(7) 0.46678(15) 0.89130(11) 0.0415(6) Uani 1 1 d . . . . .
C16 C 0.08462(7) 0.54672(17) 0.66365(11) 0.0433(6) Uani 1 1 d . . . . .
C17 C 0.06168(7) 0.54076(18) 0.70240(12) 0.0460(6) Uani 1 1 d . . . . .
C18 C 0.03608(8) 0.4884(2) 0.69658(15) 0.0615(8) Uani 1 1 d . . . . .
H18 H 0.032597 0.457215 0.667363 0.074 Uiso 1 1 calc R U . . .
C19 C 0.01591(9) 0.4827(2) 0.7341(2) 0.0791(12) Uani 1 1 d . . . . .
H19 H -0.000850 0.447228 0.730128 0.095 Uiso 1 1 calc R U . . .
C20 C 0.02038(12) 0.5289(3) 0.7773(2) 0.0923(15) Uani 1 1 d . . . . .
H20 H 0.006934 0.524460 0.802688 0.111 Uiso 1 1 calc R U . . .
C21 C 0.04471(13) 0.5813(3) 0.7825(2) 0.0922(15) Uani 1 1 d . . . . .
H21 H 0.047587 0.613174 0.811306 0.111 Uiso 1 1 calc R U . . .
C22 C 0.06513(9) 0.5878(2) 0.74569(16) 0.0639(9) Uani 1 1 d . . . . .
H22 H 0.081468 0.624230 0.749858 0.077 Uiso 1 1 calc R U . . .
C23 C 0.06777(8) 0.55520(19) 0.60725(13) 0.0523(7) Uani 1 1 d . . . . .
C24 C 0.03968(10) 0.6001(3) 0.59450(17) 0.0770(12) Uani 1 1 d . . . . .
H24 H 0.031974 0.625515 0.621216 0.092 Uiso 1 1 calc R U . . .
C25 C 0.02307(13) 0.6074(3) 0.5427(2) 0.1032(18) Uani 1 1 d . . . . .
H25 H 0.004229 0.637210 0.534898 0.124 Uiso 1 1 calc R U . . .
C26 C 0.03401(15) 0.5714(4) 0.5032(2) 0.1090(19) Uani 1 1 d . . . . .
H26 H 0.022887 0.577085 0.468328 0.131 Uiso 1 1 calc R U . . .
C27 C 0.06163(14) 0.5264(4) 0.51451(18) 0.1026(17) Uani 1 1 d . . . . .
H27 H 0.069170 0.501594 0.487399 0.123 Uiso 1 1 calc R U . . .
C28 C 0.07818(10) 0.5182(3) 0.56643(15) 0.0748(11) Uani 1 1 d . . . . .
H28 H 0.096640 0.487210 0.573880 0.090 Uiso 1 1 calc R U . . .
C29 C 0.22377(7) 0.61605(17) 0.40673(11) 0.0431(6) Uani 1 1 d . . . . .
C30 C 0.19938(7) 0.62020(15) 0.35529(10) 0.0383(5) Uani 1 1 d . . . . .
C31 C 0.18071(8) 0.68285(16) 0.33999(12) 0.0478(7) Uani 1 1 d . . . . .
H31 H 0.183335 0.723970 0.361913 0.057 Uiso 1 1 calc R U . . .
C32 C 0.15824(8) 0.68496(16) 0.29257(11) 0.0459(6) Uani 1 1 d . . . . .
H32 H 0.145621 0.727213 0.283211 0.055 Uiso 1 1 calc R U . . .
C33 C 0.15425(6) 0.62510(15) 0.25880(10) 0.0361(5) Uani 1 1 d . . . . .
C34 C 0.17355(7) 0.56256(15) 0.27387(11) 0.0435(6) Uani 1 1 d . . . . .
H34 H 0.171596 0.522162 0.251294 0.052 Uiso 1 1 calc R U . . .
C35 C 0.19549(7) 0.55970(15) 0.32174(11) 0.0428(6) Uani 1 1 d . . . . .
H35 H 0.207733 0.517083 0.331588 0.051 Uiso 1 1 calc R U . . .
C36 C 0.13025(6) 0.62543(14) 0.20699(10) 0.0361(5) Uani 1 1 d . . . . .
C37 C 0.09699(7) 0.63001(16) 0.20436(11) 0.0401(6) Uani 1 1 d . . . . .
C38 C 0.08161(7) 0.63150(18) 0.25282(11) 0.0467(7) Uani 1 1 d . . . . .
C39 C 0.06019(9) 0.6890(2) 0.25993(15) 0.0634(9) Uani 1 1 d . . . . .
H39 H 0.055835 0.726186 0.234744 0.076 Uiso 1 1 calc R U . . .
C40 C 0.04539(10) 0.6912(3) 0.30395(19) 0.0846(14) Uani 1 1 d . . . . .
H40 H 0.031380 0.730096 0.308533 0.102 Uiso 1 1 calc R U . . .
C41 C 0.05124(12) 0.6364(4) 0.34074(18) 0.0943(16) Uani 1 1 d . . . . .
H41 H 0.041208 0.638328 0.370347 0.113 Uiso 1 1 calc R U . . .
C42 C 0.07159(11) 0.5791(3) 0.33462(17) 0.0870(14) Uani 1 1 d . . . . .
H42 H 0.075356 0.541934 0.359894 0.104 Uiso 1 1 calc R U . . .
C43 C 0.08690(9) 0.5760(2) 0.29022(14) 0.0621(9) Uani 1 1 d . . . . .
H43 H 0.100656 0.536441 0.285888 0.075 Uiso 1 1 calc R U . . .
C44 C 0.07265(7) 0.63376(17) 0.15346(11) 0.0447(6) Uani 1 1 d . . . . .
C45 C 0.04599(8) 0.5850(2) 0.14342(14) 0.0602(8) Uani 1 1 d . . . . .
H45 H 0.043670 0.549558 0.168579 0.072 Uiso 1 1 calc R U . . .
C46 C 0.02282(10) 0.5881(3) 0.09666(18) 0.0810(13) Uani 1 1 d . . . . .
H46 H 0.005523 0.553879 0.090167 0.097 Uiso 1 1 calc R U . . .
C47 C 0.02522(11) 0.6405(3) 0.06038(18) 0.0929(16) Uani 1 1 d . . . . .
H47 H 0.009288 0.643155 0.029342 0.112 Uiso 1 1 calc R U . . .
C48 C 0.05085(13) 0.6893(3) 0.06922(17) 0.0888(14) Uani 1 1 d . . . . .
H48 H 0.052542 0.725270 0.044110 0.107 Uiso 1 1 calc R U . . .
C49 C 0.07464(10) 0.6859(2) 0.11573(15) 0.0661(9) Uani 1 1 d . . . . .
H49 H 0.092169 0.719527 0.121287 0.079 Uiso 1 1 calc R U . . .
C50 C 0.14707(6) 0.61669(14) 0.16020(10) 0.0349(5) Uani 1 1 d . . . . .
C51 C 0.13873(7) 0.55940(15) 0.12431(12) 0.0419(6) Uani 1 1 d . . . . .
H51 H 0.120431 0.529666 0.126427 0.050 Uiso 1 1 calc R U . . .
C52 C 0.15734(7) 0.54613(15) 0.08547(11) 0.0417(6) Uani 1 1 d . . . . .
H52 H 0.151853 0.506604 0.062511 0.050 Uiso 1 1 calc R U . . .
C53 C 0.18413(6) 0.59119(13) 0.08039(10) 0.0339(5) Uani 1 1 d . . . . .
C54 C 0.19144(7) 0.65104(14) 0.11390(11) 0.0402(6) Uani 1 1 d . . . . .
H54 H 0.208370 0.683544 0.109600 0.048 Uiso 1 1 calc R U . . .
C55 C 0.17338(7) 0.66233(15) 0.15393(11) 0.0412(6) Uani 1 1 d . . . . .
H55 H 0.179066 0.701497 0.177155 0.049 Uiso 1 1 calc R U . . .
C56 C 0.20598(6) 0.57169(13) 0.04127(10) 0.0334(5) Uani 1 1 d . . . . .
C57 C 0.30700(7) 0.44756(15) 0.59775(10) 0.0378(5) Uani 1 1 d . . . . .
C58 C 0.32600(7) 0.44387(14) 0.65361(10) 0.0351(5) Uani 1 1 d . . . . .
C59 C 0.32335(8) 0.38260(17) 0.68414(12) 0.0526(8) Uani 1 1 d . . . . .
H59 H 0.309988 0.343371 0.669764 0.063 Uiso 1 1 calc R U . . .
C60 C 0.34032(9) 0.37895(18) 0.73577(12) 0.0544(8) Uani 1 1 d . . . . .
H60 H 0.337636 0.337915 0.756166 0.065 Uiso 1 1 calc R U . . .
C61 C 0.36127(7) 0.43523(15) 0.75780(10) 0.0376(6) Uani 1 1 d . . . . .
C62 C 0.36385(9) 0.49662(17) 0.72702(11) 0.0521(8) Uani 1 1 d . . . . .
H62 H 0.377676 0.535349 0.740989 0.062 Uiso 1 1 calc R U . . .
C63 C 0.34609(8) 0.50098(16) 0.67568(11) 0.0495(7) Uani 1 1 d . . . . .
H63 H 0.347749 0.543091 0.655793 0.059 Uiso 1 1 calc R U . . .
C64 C 0.37910(7) 0.42963(16) 0.81423(11) 0.0404(6) Uani 1 1 d . . . . .
C65 C 0.41265(7) 0.43486(17) 0.82818(11) 0.0447(6) Uani 1 1 d . . . . .
C66 C 0.43449(7) 0.43883(18) 0.78779(12) 0.0474(7) Uani 1 1 d . . . . .
C67 C 0.45767(9) 0.4954(2) 0.78890(15) 0.0650(9) Uani 1 1 d . . . . .
H67 H 0.459370 0.531507 0.814896 0.078 Uiso 1 1 calc R U . . .
C68 C 0.47813(10) 0.4985(3) 0.75187(19) 0.0809(12) Uani 1 1 d . . . . .
H68 H 0.493455 0.536669 0.753016 0.097 Uiso 1 1 calc R U . . .
C69 C 0.47604(12) 0.4458(3) 0.7136(2) 0.0838(13) Uani 1 1 d . . . . .
H69 H 0.489569 0.448713 0.688240 0.101 Uiso 1 1 calc R U . . .
C70 C 0.45391(11) 0.3884(2) 0.71243(18) 0.0780(12) Uani 1 1 d . . . . .
H70 H 0.452839 0.351909 0.686846 0.094 Uiso 1 1 calc R U . . .
C71 C 0.43312(9) 0.3850(2) 0.74947(15) 0.0629(9) Uani 1 1 d . . . . .
H71 H 0.418161 0.346117 0.748477 0.075 Uiso 1 1 calc R U . . .
C72 C 0.43100(8) 0.4344(2) 0.88417(12) 0.0570(9) Uani 1 1 d . . . . .
C73 C 0.46080(11) 0.3949(3) 0.89665(18) 0.0864(14) Uani 1 1 d . . . . .
H73 H 0.468411 0.368301 0.870359 0.104 Uiso 1 1 calc R U . . .
C74 C 0.47921(15) 0.3947(4) 0.9478(2) 0.122(2) Uani 1 1 d . . . . .
H74 H 0.499042 0.368076 0.955758 0.147 Uiso 1 1 calc R U . . .
C75 C 0.46834(16) 0.4331(4) 0.9860(2) 0.119(2) Uani 1 1 d . . . . .
H75 H 0.480796 0.432783 1.020229 0.142 Uiso 1 1 calc R U . . .
C76 C 0.43933(15) 0.4726(4) 0.97523(17) 0.1072(19) Uani 1 1 d . . . . .
H76 H 0.432118 0.498792 1.002038 0.129 Uiso 1 1 calc R U . . .
C77 C 0.42038(11) 0.4735(3) 0.92358(15) 0.0792(12) Uani 1 1 d . . . . .
H77 H 0.400661 0.500517 0.916106 0.095 Uiso 1 1 calc R U . . .
C78 C 0.35597(7) 0.41175(17) 0.85092(10) 0.0398(6) Uani 1 1 d . . . . .
C79 C 0.32873(7) 0.45741(17) 0.85431(12) 0.0456(6) Uani 1 1 d . . . . .
H79 H 0.326848 0.502874 0.837409 0.055 Uiso 1 1 calc R U . . .
C80 C 0.33404(7) 0.32274(15) 0.90464(11) 0.0415(6) Uani 1 1 d . . . . .
H80 H 0.335947 0.277346 0.921631 0.050 Uiso 1 1 calc R U . . .
C81 C 0.30459(7) 0.43575(15) 0.88245(12) 0.0447(6) Uani 1 1 d . . . . .
H81 H 0.286862 0.467009 0.884936 0.054 Uiso 1 1 calc R U . . .
C82 C 0.30676(6) 0.36750(15) 0.90699(10) 0.0366(5) Uani 1 1 d . . . . .
C83 C 0.35835(7) 0.34505(16) 0.87730(11) 0.0439(6) Uani 1 1 d . . . . .
H83 H 0.376665 0.314745 0.876562 0.053 Uiso 1 1 calc R U . . .
C84 C 0.27976(7) 0.34035(15) 0.93442(10) 0.0382(6) Uani 1 1 d . . . . .
C85 C 0.31075(6) 0.43685(14) 0.43955(11) 0.0359(5) Uani 1 1 d . . . . .
C86 C 0.33053(6) 0.42125(14) 0.39720(11) 0.0352(5) Uani 1 1 d . . . . .
C87 C 0.35740(7) 0.46565(15) 0.39088(11) 0.0405(6) Uani 1 1 d . . . . .
H87 H 0.364219 0.503728 0.414626 0.049 Uiso 1 1 calc R U . . .
C88 C 0.37393(7) 0.45333(16) 0.34953(12) 0.0433(6) Uani 1 1 d . . . . .
H88 H 0.392072 0.482758 0.346005 0.052 Uiso 1 1 calc R U . . .
C89 C 0.36381(6) 0.39738(15) 0.31295(11) 0.0387(6) Uani 1 1 d . . . . .
C90 C 0.33720(7) 0.35305(17) 0.31993(12) 0.0484(7) Uani 1 1 d . . . . .
H90 H 0.330244 0.315206 0.296046 0.058 Uiso 1 1 calc R U . . .
C91 C 0.32086(7) 0.36425(16) 0.36185(12) 0.0451(6) Uani 1 1 d . . . . .
H91 H 0.303347 0.333454 0.366297 0.054 Uiso 1 1 calc R U . . .
C92 C 0.37963(7) 0.38754(16) 0.26572(11) 0.0413(6) Uani 1 1 d . . . . .
C93 C 0.41307(7) 0.38242(16) 0.26904(11) 0.0409(6) Uani 1 1 d . . . . .
C94 C 0.35557(7) 0.38205(17) 0.21462(11) 0.0429(6) Uani 1 1 d . . . . .
C95 C 0.35427(7) 0.31997(17) 0.18325(12) 0.0459(6) Uani 1 1 d . . . . .
H95 H 0.369894 0.282704 0.192865 0.055 Uiso 1 1 calc R U . . .
C96 C 0.33016(7) 0.31219(17) 0.13776(12) 0.0460(6) Uani 1 1 d . . . . .
H96 H 0.329472 0.269483 0.117659 0.055 Uiso 1 1 calc R U . . .
C97 C 0.30722(6) 0.36727(16) 0.12212(11) 0.0414(6) Uani 1 1 d . . . . .
C98 C 0.30865(8) 0.43045(18) 0.15292(14) 0.0571(9) Uani 1 1 d . . . . .
H98 H 0.293657 0.468625 0.142368 0.069 Uiso 1 1 calc R U . . .
C99 C 0.33199(8) 0.43702(18) 0.19880(14) 0.0568(9) Uani 1 1 d . . . . .
H99 H 0.332033 0.478857 0.219631 0.068 Uiso 1 1 calc R U . . .
C100 C 0.28034(7) 0.35882(18) 0.07358(11) 0.0446(6) Uani 1 1 d . . . . .
C101 C 0.42966(7) 0.38364(17) 0.22215(11) 0.0435(6) Uani 1 1 d . . . . .
C102 C 0.45295(8) 0.3303(2) 0.21613(13) 0.0564(8) Uani 1 1 d . . . . .
H102 H 0.457654 0.292798 0.241005 0.068 Uiso 1 1 calc R U . . .
C103 C 0.46930(9) 0.3321(3) 0.17365(16) 0.0739(11) Uani 1 1 d . . . . .
H103 H 0.484616 0.295411 0.169860 0.089 Uiso 1 1 calc R U . . .
C104 C 0.46300(10) 0.3876(3) 0.13712(16) 0.0814(13) Uani 1 1 d . . . . .
H104 H 0.474347 0.389202 0.108955 0.098 Uiso 1 1 calc R U . . .
C105 C 0.43995(11) 0.4409(3) 0.14211(17) 0.0780(12) Uani 1 1 d . . . . .
H105 H 0.435419 0.478311 0.117089 0.094 Uiso 1 1 calc R U . . .
C106 C 0.42337(9) 0.4390(2) 0.18466(14) 0.0601(8) Uani 1 1 d . . . . .
H106 H 0.407835 0.475353 0.187965 0.072 Uiso 1 1 calc R U . . .
C107 C 0.43623(7) 0.37661(18) 0.32140(11) 0.0446(6) Uani 1 1 d . . . . .
C108 C 0.46033(8) 0.4299(2) 0.33707(14) 0.0591(9) Uani 1 1 d . . . . .
H108 H 0.462448 0.468621 0.314275 0.071 Uiso 1 1 calc R U . . .
C109 C 0.48133(10) 0.4267(3) 0.38606(17) 0.0805(13) Uani 1 1 d . . . . .
H109 H 0.496836 0.463925 0.396492 0.097 Uiso 1 1 calc R U . . .
C110 C 0.47925(12) 0.3689(3) 0.41895(17) 0.0913(15) Uani 1 1 d . . . . .
H110 H 0.493619 0.366084 0.451602 0.110 Uiso 1 1 calc R U . . .
C111 C 0.45588(12) 0.3146(3) 0.40383(16) 0.0857(13) Uani 1 1 d . . . . .
H111 H 0.454435 0.275124 0.426333 0.103 Uiso 1 1 calc R U . . .
C112 C 0.43444(9) 0.3184(2) 0.35511(14) 0.0621(9) Uani 1 1 d . . . . .
H112 H 0.418733 0.281445 0.345112 0.075 Uiso 1 1 calc R U . . .
C113 C 0.20505(6) 0.21930(14) -0.06671(10) 0.0343(5) Uani 1 1 d . . . . .
C114 C 0.17837(6) 0.21140(13) -0.11526(10) 0.0345(5) Uani 1 1 d . . . . .
C115 C 0.18204(7) 0.16113(16) -0.15440(11) 0.0450(6) Uani 1 1 d . . . . .
H115 H 0.200275 0.129348 -0.149152 0.054 Uiso 1 1 calc R U . . .
C116 C 0.15894(7) 0.15790(17) -0.20091(12) 0.0477(7) Uani 1 1 d . . . . .
H116 H 0.162046 0.124225 -0.226780 0.057 Uiso 1 1 calc R U . . .
C117 C 0.13085(6) 0.20408(15) -0.21028(10) 0.0359(5) Uani 1 1 d . . . . .
C118 C 0.12707(6) 0.25252(15) -0.16985(11) 0.0399(6) Uani 1 1 d . . . . .
H118 H 0.108392 0.282983 -0.174382 0.048 Uiso 1 1 calc R U . . .
C119 C 0.15033(6) 0.25665(15) -0.12308(11) 0.0404(6) Uani 1 1 d . . . . .
H119 H 0.147175 0.289731 -0.096871 0.049 Uiso 1 1 calc R U . . .
C120 C 0.10789(6) 0.20480(15) -0.26293(11) 0.0383(5) Uani 1 1 d . . . . .
C121 C 0.07446(7) 0.21554(16) -0.27011(11) 0.0405(6) Uani 1 1 d . . . . .
C122 C 0.12456(6) 0.19477(16) -0.30948(11) 0.0392(6) Uani 1 1 d . . . . .
C123 C 0.11321(6) 0.14211(15) -0.34788(11) 0.0406(6) Uani 1 1 d . . . . .
H123 H 0.091879 0.146081 -0.357475 0.049 Uiso 1 1 d R U . . .
C124 C 0.12859(6) 0.13292(15) -0.39102(11) 0.0401(6) Uani 1 1 d . . . . .
H124 H 0.119978 0.099026 -0.417134 0.048 Uiso 1 1 calc R U . . .
C125 C 0.15668(6) 0.17353(15) -0.39586(10) 0.0375(5) Uani 1 1 d . . . . .
C126 C 0.16814(7) 0.22618(18) -0.35763(12) 0.0491(7) Uani 1 1 d . . . . .
H126 H 0.186748 0.254456 -0.360564 0.059 Uiso 1 1 calc R U . . .
C127 C 0.15223(7) 0.23714(19) -0.31520(12) 0.0499(7) Uani 1 1 d . . . . .
H127 H 0.160073 0.273147 -0.290240 0.060 Uiso 1 1 calc R U . . .
C128 C 0.17519(6) 0.15673(15) -0.43950(10) 0.0364(5) Uani 1 1 d . . . . .
C129 C 0.05541(7) 0.21765(18) -0.22602(11) 0.0456(7) Uani 1 1 d . . . . .
C130 C 0.03730(9) 0.2796(2) -0.21858(15) 0.0652(10) Uani 1 1 d . . . . .
H130 H 0.036803 0.319239 -0.241587 0.078 Uiso 1 1 calc R U . . .
C131 C 0.01984(10) 0.2837(3) -0.17735(19) 0.0850(14) Uani 1 1 d . . . . .
H131 H 0.008373 0.326482 -0.172025 0.102 Uiso 1 1 calc R U . . .
C132 C 0.01953(10) 0.2249(3) -0.14466(18) 0.0872(15) Uani 1 1 d . . . . .
H132 H 0.007771 0.227603 -0.117014 0.105 Uiso 1 1 calc R U . . .
C133 C 0.03636(12) 0.1621(3) -0.15224(19) 0.0908(14) Uani 1 1 d . . . . .
H133 H 0.035566 0.121644 -0.130380 0.109 Uiso 1 1 calc R U . . .
C134 C 0.05475(9) 0.1586(2) -0.19269(15) 0.0661(9) Uani 1 1 d . . . . .
H134 H 0.066643 0.116126 -0.197220 0.079 Uiso 1 1 calc R U . . .
C135 C 0.05321(7) 0.22777(18) -0.32354(12) 0.0467(7) Uani 1 1 d . . . . .
C136 C 0.02626(8) 0.1814(2) -0.34204(14) 0.0600(9) Uani 1 1 d . . . . .
H136 H 0.021782 0.142298 -0.321146 0.072 Uiso 1 1 calc R U . . .
C137 C 0.00602(10) 0.1928(3) -0.39107(17) 0.0821(13) Uani 1 1 d . . . . .
H137 H -0.011534 0.160631 -0.403190 0.098 Uiso 1 1 calc R U . . .
C138 C 0.01177(12) 0.2509(3) -0.42153(17) 0.0904(15) Uani 1 1 d . . . . .
H138 H -0.001994 0.258756 -0.454250 0.108 Uiso 1 1 calc R U . . .
C139 C 0.03785(13) 0.2976(3) -0.40393(18) 0.0894(14) Uani 1 1 d . . . . .
H139 H 0.041621 0.337358 -0.424831 0.107 Uiso 1 1 calc R U . . .
C140 C 0.05877(10) 0.2865(2) -0.35525(15) 0.0645(9) Uani 1 1 d . . . . .
H140 H 0.076506 0.318521 -0.343901 0.077 Uiso 1 1 calc R U . . .
C141 C 0.29756(7) 0.77065(18) 0.07203(12) 0.0471(7) Uani 1 1 d . . . . .
C142 C 0.32217(7) 0.75798(15) 0.12212(11) 0.0404(6) Uani 1 1 d . . . . .
C143 C 0.31914(9) 0.6986(2) 0.15425(14) 0.0612(9) Uani 1 1 d . . . . .
H143 H 0.303108 0.662654 0.142969 0.073 Uiso 1 1 calc R U . . .
C144 C 0.33987(8) 0.69236(19) 0.20313(13) 0.0591(9) Uani 1 1 d . . . . .
H144 H 0.337044 0.652914 0.224890 0.071 Uiso 1 1 calc R U . . .
C145 C 0.36475(6) 0.74332(16) 0.22056(11) 0.0397(6) Uani 1 1 d . . . . .
C146 C 0.36871(8) 0.80107(16) 0.18675(12) 0.0478(7) Uani 1 1 d . . . . .
H146 H 0.385846 0.834976 0.196785 0.057 Uiso 1 1 calc R U . . .
C147 C 0.34745(8) 0.80847(16) 0.13850(12) 0.0499(7) Uani 1 1 d . . . . .
H147 H 0.350143 0.847935 0.116669 0.060 Uiso 1 1 calc R U . . .
C148 C 0.38577(7) 0.73807(16) 0.27464(11) 0.0409(6) Uani 1 1 d . . . . .
C149 C 0.41954(7) 0.73514(17) 0.28284(12) 0.0446(6) Uani 1 1 d . . . . .
C150 C 0.43762(7) 0.72903(19) 0.23781(12) 0.0501(7) Uani 1 1 d . . . . .
C151 C 0.45920(9) 0.7845(3) 0.22885(16) 0.0714(11) Uani 1 1 d . . . . .
H151 H 0.463082 0.824220 0.251956 0.086 Uiso 1 1 calc R U . . .
C152 C 0.47509(11) 0.7812(3) 0.18565(19) 0.0948(16) Uani 1 1 d . . . . .
H152 H 0.489154 0.819239 0.179558 0.114 Uiso 1 1 calc R U . . .
C153 C 0.47031(13) 0.7237(4) 0.1528(2) 0.1064(19) Uani 1 1 d . . . . .
H153 H 0.481402 0.721647 0.124374 0.128 Uiso 1 1 calc R U . . .
C154 C 0.44928(17) 0.6678(4) 0.1605(2) 0.124(2) Uani 1 1 d . . . . .
H154 H 0.445857 0.628101 0.137360 0.148 Uiso 1 1 calc R U . . .
C155 C 0.43295(13) 0.6711(3) 0.2038(2) 0.0893(14) Uani 1 1 d . . . . .
H155 H 0.418706 0.633060 0.209332 0.107 Uiso 1 1 calc R U . . .
C156 C 0.44085(7) 0.7377(2) 0.33693(12) 0.0515(7) Uani 1 1 d . . . . .
C157 C 0.43796(9) 0.7936(3) 0.37187(15) 0.0708(10) Uani 1 1 d . . . . .
H157 H 0.421914 0.830102 0.362448 0.085 Uiso 1 1 calc R U . . .
C158 C 0.45904(13) 0.7958(3) 0.42137(18) 0.0985(16) Uani 1 1 d . . . . .
H158 H 0.456944 0.833751 0.444791 0.118 Uiso 1 1 calc R U . . .
C159 C 0.48251(12) 0.7431(4) 0.43556(19) 0.0981(17) Uani 1 1 d . . . . .
H159 H 0.496571 0.745402 0.468519 0.118 Uiso 1 1 calc R U . . .
C160 C 0.48567(10) 0.6870(3) 0.4020(2) 0.0859(14) Uani 1 1 d . . . . .
H160 H 0.501474 0.650250 0.412294 0.103 Uiso 1 1 calc R U . . .
C161 C 0.46525(8) 0.6846(2) 0.35235(16) 0.0666(10) Uani 1 1 d . . . . .
H161 H 0.467939 0.646889 0.329059 0.080 Uiso 1 1 calc R U . . .
C162 C 0.36607(6) 0.73462(16) 0.31788(11) 0.0397(6) Uani 1 1 d . . . . .
C163 C 0.36588(8) 0.67179(17) 0.34778(13) 0.0540(8) Uani 1 1 d . . . . .
H163 H 0.380098 0.633108 0.343552 0.065 Uiso 1 1 calc R U . . .
C164 C 0.34490(8) 0.66536(17) 0.38391(13) 0.0533(8) Uani 1 1 d . . . . .
H164 H 0.344574 0.621705 0.402667 0.064 Uiso 1 1 calc R U . . .
C165 C 0.32452(7) 0.72247(14) 0.39258(11) 0.0389(6) Uani 1 1 d . . . . .
C166 C 0.32513(8) 0.78650(16) 0.36358(14) 0.0517(8) Uani 1 1 d . . . . .
H166 H 0.311844 0.826143 0.369424 0.062 Uiso 1 1 calc R U . . .
C167 C 0.34522(8) 0.79222(17) 0.32611(13) 0.0517(8) Uani 1 1 d . . . . .
H167 H 0.344794 0.835036 0.306195 0.062 Uiso 1 1 calc R U . . .
C168 C 0.30076(7) 0.71185(15) 0.43007(12) 0.0413(6) Uani 1 1 d . . . . .
O26 O 0.33352(5) 0.28720(15) 0.52600(12) 0.0696(7) Uani 1 1 d D U . . .
N1 N 0.38746(7) 0.2580(2) 0.53922(16) 0.0842(11) Uani 1 1 d D U . . .
C169 C 0.36292(8) 0.3077(2) 0.53460(15) 0.0677(10) Uani 1 1 d D U . . .
C170 C 0.37274(10) 0.3886(2) 0.5408(2) 0.0844(13) Uani 1 1 d D U . . .
H17A H 0.396673 0.392789 0.547225 0.127 Uiso 1 1 calc R U . . .
H17B H 0.363407 0.414616 0.508938 0.127 Uiso 1 1 calc R U . . .
H17C H 0.364322 0.409200 0.570034 0.127 Uiso 1 1 calc R U . . .
C171 C 0.37912(14) 0.1802(3) 0.5359(2) 0.0995(16) Uani 1 1 d D U . . .
H17D H 0.399305 0.151700 0.539886 0.149 Uiso 1 1 calc R U . . .
H17E H 0.367189 0.167599 0.563450 0.149 Uiso 1 1 calc R U . . .
H17F H 0.365373 0.169898 0.502036 0.149 Uiso 1 1 calc R U . . .
C172 C 0.42288(10) 0.2781(4) 0.5489(3) 0.137(3) Uani 1 1 d D U . . .
H17G H 0.436247 0.234282 0.550838 0.206 Uiso 1 1 calc R U . . .
H17H H 0.427276 0.308542 0.520466 0.206 Uiso 1 1 calc R U . . .
H17I H 0.428382 0.304548 0.581666 0.206 Uiso 1 1 calc R U . . .
O27 O 0.17887(5) 0.70984(16) -0.05075(12) 0.0714(7) Uani 1 1 d D U . . .
N2 N 0.12452(13) 0.7394(3) -0.0551(2) 0.064(2) Uani 0.563(10) 1 d D U P A 1
C173 C 0.14945(14) 0.6898(4) -0.0547(3) 0.051(2) Uani 0.563(10) 1 d D U P A 1
C174 C 0.1364(4) 0.6096(6) -0.0663(8) 0.078(4) Uani 0.563(10) 1 d D U P A 1
H17J H 0.112729 0.608209 -0.067429 0.116 Uiso 0.563(10) 1 calc R U P A 1
H17K H 0.141102 0.593850 -0.099815 0.116 Uiso 0.563(10) 1 calc R U P A 1
H17L H 0.147447 0.577412 -0.038899 0.116 Uiso 0.563(10) 1 calc R U P A 1
C175 C 0.1354(5) 0.8150(5) -0.0467(7) 0.107(6) Uani 0.563(10) 1 d D U P A 1
H17M H 0.116205 0.846175 -0.047642 0.160 Uiso 0.563(10) 1 calc R U P A 1
H17N H 0.149951 0.819465 -0.012912 0.160 Uiso 0.563(10) 1 calc R U P A 1
H17O H 0.147090 0.829615 -0.074138 0.160 Uiso 0.563(10) 1 calc R U P A 1
C176 C 0.0894(2) 0.7184(12) -0.0600(10) 0.124(8) Uani 0.563(10) 1 d D U P A 1
H17P H 0.075977 0.761750 -0.059446 0.186 Uiso 0.563(10) 1 calc R U P A 1
H17Q H 0.082200 0.692710 -0.092828 0.186 Uiso 0.563(10) 1 calc R U P A 1
H17R H 0.086853 0.686911 -0.031050 0.186 Uiso 0.563(10) 1 calc R U P A 1
N2B N 0.12580(16) 0.6744(4) -0.0590(3) 0.063(3) Uani 0.437(10) 1 d D U P A 2
C17A C 0.14939(18) 0.7289(5) -0.0542(3) 0.054(3) Uani 0.437(10) 1 d D U P A 2
C17B C 0.1358(5) 0.8088(6) -0.0570(8) 0.081(5) Uani 0.437(10) 1 d D U P A 2
H17S H 0.111926 0.807814 -0.059559 0.121 Uiso 0.437(10) 1 calc R U P A 2
H17T H 0.145858 0.835064 -0.025701 0.121 Uiso 0.437(10) 1 calc R U P A 2
H17U H 0.141057 0.832973 -0.087616 0.121 Uiso 0.437(10) 1 calc R U P A 2
C17C C 0.1394(6) 0.6002(7) -0.0555(10) 0.085(7) Uani 0.437(10) 1 d D U P A 2
H17V H 0.121361 0.565298 -0.059171 0.128 Uiso 0.437(10) 1 calc R U P A 2
H17W H 0.151858 0.592681 -0.083165 0.128 Uiso 0.437(10) 1 calc R U P A 2
H17X H 0.153809 0.593595 -0.021703 0.128 Uiso 0.437(10) 1 calc R U P A 2
C17D C 0.0906(3) 0.6954(15) -0.0658(13) 0.117(9) Uani 0.437(10) 1 d D U P A 2
H17Y H 0.076967 0.651888 -0.068582 0.176 Uiso 0.437(10) 1 calc R U P A 2
H17Z H 0.087122 0.723759 -0.035775 0.176 Uiso 0.437(10) 1 calc R U P A 2
H18A H 0.084506 0.724244 -0.097379 0.176 Uiso 0.437(10) 1 calc R U P A 2
O28 O 0.5515(8) 0.4876(18) 0.5170(8) 0.151(12) Uani 0.228(11) 1 d D U P B 1
N3 N 0.5771(5) 0.4255(11) 0.4462(8) 0.088(6) Uani 0.228(11) 1 d D U P B 1
C177 C 0.5601(3) 0.4788(10) 0.4722(8) 0.065(5) Uani 0.228(11) 1 d D U P B 1
C178 C 0.5514(8) 0.535(2) 0.4272(10) 0.064(6) Uani 0.228(11) 1 d D U P B 1
H18B H 0.560060 0.517916 0.397019 0.095 Uiso 0.228(11) 1 calc R U P B 1
H18C H 0.527551 0.539765 0.417733 0.095 Uiso 0.228(11) 1 calc R U P B 1
H18D H 0.561185 0.581411 0.438576 0.095 Uiso 0.228(11) 1 calc R U P B 1
C179 C 0.5781(8) 0.457(2) 0.3946(10) 0.092(8) Uani 0.228(11) 1 d D U P B 1
H18E H 0.589360 0.423689 0.374831 0.137 Uiso 0.228(11) 1 calc R U P B 1
H18F H 0.555723 0.465219 0.375820 0.137 Uiso 0.228(11) 1 calc R U P B 1
H18G H 0.589984 0.502912 0.399103 0.137 Uiso 0.228(11) 1 calc R U P B 1
C180 C 0.5883(14) 0.3530(17) 0.4652(17) 0.167(16) Uani 0.228(11) 1 d D U P B 1
H18H H 0.599044 0.329191 0.439522 0.250 Uiso 0.228(11) 1 calc R U P B 1
H18I H 0.603959 0.357604 0.498036 0.250 Uiso 0.228(11) 1 calc R U P B 1
H18J H 0.569492 0.324326 0.470643 0.250 Uiso 0.228(11) 1 calc R U P B 1
O28B O 0.5491(2) 0.5323(5) 0.4419(4) 0.109(3) Uani 0.772(11) 1 d D U P B 2
N3B N 0.57107(18) 0.4345(4) 0.4840(3) 0.125(3) Uani 0.772(11) 1 d D U P B 2
C17E C 0.56632(15) 0.4757(5) 0.4385(3) 0.098(3) Uani 0.772(11) 1 d D U P B 2
C17F C 0.5835(3) 0.4419(8) 0.3949(5) 0.150(7) Uani 0.772(11) 1 d D U P B 2
H18K H 0.594600 0.397086 0.407802 0.225 Uiso 0.772(11) 1 calc R U P B 2
H18L H 0.566906 0.431668 0.363966 0.225 Uiso 0.772(11) 1 calc R U P B 2
H18M H 0.599558 0.476112 0.386102 0.225 Uiso 0.772(11) 1 calc R U P B 2
C17G C 0.5576(3) 0.4550(7) 0.5305(4) 0.124(4) Uani 0.772(11) 1 d D U P B 2
H18N H 0.563882 0.418753 0.557650 0.186 Uiso 0.772(11) 1 calc R U P B 2
H18O H 0.566451 0.502063 0.543143 0.186 Uiso 0.772(11) 1 calc R U P B 2
H18P H 0.533685 0.457859 0.521274 0.186 Uiso 0.772(11) 1 calc R U P B 2
C17H C 0.5901(3) 0.3671(6) 0.4897(6) 0.188(7) Uani 0.772(11) 1 d D U P B 2
H18Q H 0.590413 0.346893 0.524323 0.282 Uiso 0.772(11) 1 calc R U P B 2
H18R H 0.579939 0.332479 0.463344 0.282 Uiso 0.772(11) 1 calc R U P B 2
H18S H 0.612577 0.377031 0.485371 0.282 Uiso 0.772(11) 1 calc R U P B 2
O29 O 0.23295(8) 0.35779(18) 0.66882(11) 0.0847(8) Uani 1 1 d D U . . .
N4 N 0.23630(10) 0.3233(2) 0.75541(17) 0.0963(12) Uani 1 1 d D U . . .
C181 C 0.24223(10) 0.3126(2) 0.70695(18) 0.0808(13) Uani 1 1 d D U . . .
C182 C 0.26053(12) 0.2422(2) 0.6986(2) 0.0856(13) Uani 1 1 d D U . . .
H18T H 0.265486 0.215367 0.731280 0.128 Uiso 1 1 calc R U . . .
H18U H 0.246703 0.212736 0.672197 0.128 Uiso 1 1 calc R U . . .
H18V H 0.280999 0.254065 0.687050 0.128 Uiso 1 1 calc R U . . .
C183 C 0.21889(19) 0.3925(4) 0.7621(3) 0.155(3) Uani 1 1 d D U . . .
H18W H 0.202552 0.384096 0.783880 0.233 Uiso 1 1 calc R U . . .
H18X H 0.207957 0.410334 0.728031 0.233 Uiso 1 1 calc R U . . .
H18Y H 0.234803 0.428422 0.778597 0.233 Uiso 1 1 calc R U . . .
C184 C 0.24835(18) 0.2736(3) 0.79914(19) 0.119(2) Uani 1 1 d D U . . .
H18Z H 0.241384 0.291268 0.830542 0.179 Uiso 1 1 calc R U . . .
H19A H 0.239298 0.225400 0.790697 0.179 Uiso 1 1 calc R U . . .
H19B H 0.272337 0.271441 0.805053 0.179 Uiso 1 1 calc R U . . .
O30 O 0.23996(12) 0.4157(2) 0.27617(17) 0.1189(14) Uani 1 1 d D U . . .
N5 N 0.25899(9) 0.5206(2) 0.24889(16) 0.0915(12) Uani 1 1 d D U . . .
C185 C 0.23983(11) 0.4611(3) 0.2388(2) 0.0909(15) Uani 1 1 d D U . . .
C186 C 0.21982(13) 0.4530(3) 0.18389(19) 0.0949(15) Uani 1 1 d D U . . .
H19C H 0.223929 0.494380 0.162832 0.142 Uiso 1 1 calc R U . . .
H19D H 0.226284 0.408548 0.168309 0.142 Uiso 1 1 calc R U . . .
H19E H 0.196447 0.450817 0.185356 0.142 Uiso 1 1 calc R U . . .
C187 C 0.25976(14) 0.5786(3) 0.2100(2) 0.1058(18) Uani 1 1 d D U . . .
H19F H 0.275140 0.616324 0.225141 0.159 Uiso 1 1 calc R U . . .
H19G H 0.266833 0.558390 0.179387 0.159 Uiso 1 1 calc R U . . .
H19H H 0.237799 0.599389 0.199715 0.159 Uiso 1 1 calc R U . . .
C188 C 0.27913(12) 0.5337(3) 0.30198(19) 0.1036(17) Uani 1 1 d D U . . .
H19I H 0.291289 0.578927 0.301905 0.155 Uiso 1 1 calc R U . . .
H19J H 0.264635 0.536826 0.327341 0.155 Uiso 1 1 calc R U . . .
H19K H 0.294590 0.493807 0.311293 0.155 Uiso 1 1 calc R U . . .
O31 O 0.0964(2) 0.0580(5) -0.0816(4) 0.150(4) Uani 0.602(7) 1 d D U P C 1
N6 N 0.1279(3) 0.1241(8) -0.0135(5) 0.153(6) Uani 0.602(7) 1 d D U P C 1
C189 C 0.1241(2) 0.0668(4) -0.0504(4) 0.092(3) Uani 0.602(7) 1 d D U P C 1
C190 C 0.1548(4) 0.0175(10) -0.0513(8) 0.131(6) Uani 0.602(7) 1 d D U P C 1
H19L H 0.173134 0.033619 -0.024552 0.197 Uiso 0.602(7) 1 calc R U P C 1
H19M H 0.149393 -0.032560 -0.044546 0.197 Uiso 0.602(7) 1 calc R U P C 1
H19N H 0.161062 0.020737 -0.085433 0.197 Uiso 0.602(7) 1 calc R U P C 1
C191 C 0.1580(3) 0.1293(8) 0.0261(6) 0.135(5) Uani 0.602(7) 1 d D U P C 1
H19O H 0.156703 0.171373 0.048111 0.203 Uiso 0.602(7) 1 calc R U P C 1
H19P H 0.160531 0.085573 0.047384 0.203 Uiso 0.602(7) 1 calc R U P C 1
H19Q H 0.176981 0.134364 0.009006 0.203 Uiso 0.602(7) 1 calc R U P C 1
C192 C 0.0987(4) 0.1694(8) -0.0146(6) 0.172(7) Uani 0.602(7) 1 d D U P C 1
H19R H 0.103541 0.207109 0.011883 0.258 Uiso 0.602(7) 1 calc R U P C 1
H19S H 0.092433 0.191758 -0.048877 0.258 Uiso 0.602(7) 1 calc R U P C 1
H19T H 0.080551 0.139535 -0.007555 0.258 Uiso 0.602(7) 1 calc R U P C 1
O31B O 0.1802(2) 0.0572(8) 0.0117(5) 0.146(6) Uani 0.398(7) 1 d D U P C 2
N6B N 0.1288(3) 0.1139(7) -0.0160(6) 0.073(4) Uani 0.398(7) 1 d D U P C 2
C18A C 0.1546(3) 0.0654(6) -0.0243(5) 0.097(4) Uani 0.398(7) 1 d D U P C 2
C18B C 0.1451(8) 0.018(2) -0.0743(11) 0.164(12) Uani 0.398(7) 1 d D U P C 2
H19U H 0.124564 0.035215 -0.095212 0.246 Uiso 0.398(7) 1 calc R U P C 2
H19V H 0.162568 0.020438 -0.094737 0.246 Uiso 0.398(7) 1 calc R U P C 2
H19W H 0.142384 -0.032533 -0.064280 0.246 Uiso 0.398(7) 1 calc R U P C 2
C18C C 0.1027(4) 0.1289(15) -0.0605(8) 0.172(10) Uani 0.398(7) 1 d D U P C 2
H19X H 0.086854 0.162184 -0.050010 0.258 Uiso 0.398(7) 1 calc R U P C 2
H19Y H 0.112192 0.150738 -0.088279 0.258 Uiso 0.398(7) 1 calc R U P C 2
H19Z H 0.091680 0.083810 -0.072895 0.258 Uiso 0.398(7) 1 calc R U P C 2
C18D C 0.1402(6) 0.1657(13) 0.0268(9) 0.175(10) Uani 0.398(7) 1 d D U P C 2
H20K H 0.122031 0.197408 0.031081 0.262 Uiso 0.398(7) 1 calc R U P C 2
H20L H 0.147818 0.139101 0.059053 0.262 Uiso 0.398(7) 1 calc R U P C 2
H29M H 0.158206 0.194646 0.018398 0.262 Uiso 0.398(7) 1 calc R U P C 2
O32 O 0.05541(12) 0.5338(3) -0.0681(2) 0.1328(15) Uani 1 1 d D U . . .
N7 N 0.06418(10) 0.4262(3) -0.0235(2) 0.1022(14) Uani 1 1 d D U . . .
C193 C 0.06614(12) 0.4691(3) -0.0664(2) 0.1033(17) Uani 1 1 d D U . . .
C194 C 0.08253(18) 0.4354(4) -0.1083(3) 0.139(3) Uani 1 1 d D U . . .
H20D H 0.088730 0.385545 -0.098836 0.208 Uiso 1 1 calc R U . . .
H20E H 0.067187 0.435997 -0.141639 0.208 Uiso 1 1 calc R U . . .
H20F H 0.102162 0.463126 -0.111380 0.208 Uiso 1 1 calc R U . . .
C195 C 0.07470(15) 0.3503(3) -0.0219(3) 0.119(2) Uani 1 1 d D U . . .
H20G H 0.071633 0.328495 0.010857 0.179 Uiso 1 1 calc R U . . .
H20H H 0.061556 0.324069 -0.050977 0.179 Uiso 1 1 calc R U . . .
H20I H 0.097893 0.347795 -0.024490 0.179 Uiso 1 1 calc R U . . .
C196 C 0.05119(14) 0.4588(4) 0.0195(2) 0.115(2) Uani 1 1 d D U . . .
H21D H 0.051194 0.422853 0.046867 0.172 Uiso 1 1 calc R U . . .
H21E H 0.064985 0.499728 0.033524 0.172 Uiso 1 1 calc R U . . .
H21F H 0.028740 0.475582 0.006866 0.172 Uiso 1 1 calc R U . . .
O33 O 0.25999(9) 0.6063(2) -0.17821(12) 0.0929(10) Uani 1 1 d D U . . .
N8 N 0.26083(12) 0.6274(4) -0.26324(18) 0.130(2) Uani 1 1 d D U . . .
C197 C 0.25495(11) 0.6492(3) -0.2183(2) 0.1027(17) Uani 1 1 d D U . . .
C198 C 0.2427(2) 0.7279(4) -0.2146(3) 0.172(4) Uani 1 1 d D U . . .
H21N H 0.240434 0.751189 -0.248639 0.258 Uiso 1 1 calc R U . . .
H21P H 0.221402 0.727409 -0.203729 0.258 Uiso 1 1 calc R U . . .
H21O H 0.258540 0.754717 -0.189223 0.258 Uiso 1 1 calc R U . . .
C199 C 0.2723(2) 0.5496(5) -0.2653(3) 0.187(5) Uani 1 1 d D U . . .
H22D H 0.275954 0.538693 -0.300257 0.280 Uiso 1 1 calc R U . . .
H22E H 0.292729 0.542900 -0.240234 0.280 Uiso 1 1 calc R U . . .
H22F H 0.255456 0.517146 -0.256678 0.280 Uiso 1 1 calc R U . . .
C200 C 0.2564(2) 0.6764(5) -0.3087(2) 0.212(6) Uani 1 1 d D U . . .
H22G H 0.261966 0.650735 -0.338566 0.318 Uiso 1 1 calc R U . . .
H22H H 0.233586 0.692515 -0.317054 0.318 Uiso 1 1 calc R U . . .
H22I H 0.270859 0.718278 -0.300612 0.318 Uiso 1 1 calc R U . . .
O34 O 0.40308(16) 0.5808(4) 1.0544(3) 0.217(4) Uani 1 1 d D U . . .
N9 N 0.34865(15) 0.5606(3) 1.0258(2) 0.1256(19) Uani 1 1 d D U . . .
C201 C 0.37581(18) 0.6024(4) 1.0319(3) 0.130(2) Uani 1 1 d D U . . .
C202 C 0.3722(3) 0.6800(5) 1.0126(6) 0.309(9) Uani 1 1 d D U . . .
H23D H 0.349457 0.688858 0.995762 0.464 Uiso 1 1 calc R U . . .
H23E H 0.378304 0.713001 1.041973 0.464 Uiso 1 1 calc R U . . .
H23F H 0.386662 0.688056 0.987573 0.464 Uiso 1 1 calc R U . . .
C203 C 0.3524(3) 0.4885(6) 1.0479(7) 0.390(12) Uani 1 1 d D U . . .
H24G H 0.331162 0.463751 1.040971 0.585 Uiso 1 1 calc R U . . .
H24H H 0.368206 0.461413 1.032060 0.585 Uiso 1 1 calc R U . . .
H24I H 0.360261 0.491783 1.085395 0.585 Uiso 1 1 calc R U . . .
C204 C 0.31622(19) 0.5778(5) 0.9975(4) 0.215(6) Uani 1 1 d D U . . .
H25J H 0.301412 0.537332 0.999750 0.322 Uiso 1 1 calc R U . . .
H25K H 0.308055 0.620965 1.012490 0.322 Uiso 1 1 calc R U . . .
H25L H 0.317219 0.586918 0.961054 0.322 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O24 Dy1 O22 73.40(10) . 4_576 ?
O24 Dy1 O2 127.97(8) . . ?
O22 Dy1 O2 78.57(10) 4_576 . ?
O24 Dy1 O9 127.31(9) . . ?
O22 Dy1 O9 80.16(9) 4_576 . ?
O2 Dy1 O9 88.47(8) . . ?
O24 Dy1 O13 75.06(8) . . ?
O22 Dy1 O13 121.62(10) 4_576 . ?
O2 Dy1 O13 155.15(8) . . ?
O9 Dy1 O13 81.76(7) . . ?
O24 Dy1 O5 79.57(9) . . ?
O22 Dy1 O5 132.77(9) 4_576 . ?
O2 Dy1 O5 89.04(9) . . ?
O9 Dy1 O5 145.52(7) . . ?
O13 Dy1 O5 86.32(8) . . ?
O24 Dy1 O25 143.73(9) . . ?
O22 Dy1 O25 142.08(9) 4_576 . ?
O2 Dy1 O25 70.24(9) . . ?
O9 Dy1 O25 78.01(7) . . ?
O13 Dy1 O25 85.35(8) . . ?
O5 Dy1 O25 68.82(8) . . ?
O14 Dy2 O16 151.77(9) . 4_566 ?
O14 Dy2 O10 91.55(8) . . ?
O16 Dy2 O10 99.37(8) 4_566 . ?
O14 Dy2 O11 81.13(8) . 4_565 ?
O16 Dy2 O11 77.43(9) 4_566 4_565 ?
O10 Dy2 O11 153.20(8) . 4_565 ?
O14 Dy2 O17 76.53(8) . 4_566 ?
O16 Dy2 O17 115.89(7) 4_566 4_566 ?
O10 Dy2 O17 125.82(8) . 4_566 ?
O11 Dy2 O17 77.68(7) 4_565 4_566 ?
O14 Dy2 O26 78.39(9) . . ?
O16 Dy2 O26 79.13(9) 4_566 . ?
O10 Dy2 O26 76.06(9) . . ?
O11 Dy2 O26 77.22(9) 4_565 . ?
O17 Dy2 O26 146.77(9) 4_566 . ?
O14 Dy2 O1W 135.15(8) . . ?
O16 Dy2 O1W 73.07(8) 4_566 . ?
O10 Dy2 O1W 73.79(8) . . ?
O11 Dy2 O1W 128.57(7) 4_565 . ?
O17 Dy2 O1W 78.67(8) 4_566 . ?
O26 Dy2 O1W 134.44(9) . . ?
O14 Dy2 O25 64.69(8) . . ?
O16 Dy2 O25 143.47(8) 4_566 . ?
O10 Dy2 O25 66.93(7) . . ?
O11 Dy2 O25 129.94(7) 4_565 . ?
O17 Dy2 O25 60.14(6) 4_566 . ?
O26 Dy2 O25 125.55(8) . . ?
O1W Dy2 O25 70.59(7) . . ?
O8 Dy3 O6 157.01(8) . 4_575 ?
O8 Dy3 O21 77.65(9) . . ?
O6 Dy3 O21 117.18(9) 4_575 . ?
O8 Dy3 O2W 81.34(8) . . ?
O6 Dy3 O2W 104.02(9) 4_575 . ?
O21 Dy3 O2W 118.19(10) . . ?
O8 Dy3 O1 89.31(7) . 4_575 ?
O6 Dy3 O1 77.24(8) 4_575 4_575 ?
O21 Dy3 O1 79.47(9) . 4_575 ?
O2W Dy3 O1 157.20(9) . 4_575 ?
O8 Dy3 O27 78.81(9) . . ?
O6 Dy3 O27 80.24(9) 4_575 . ?
O21 Dy3 O27 147.58(10) . . ?
O2W Dy3 O27 79.52(10) . . ?
O1 Dy3 O27 78.27(9) 4_575 . ?
O8 Dy3 O23 127.40(8) . 4_575 ?
O6 Dy3 O23 74.58(8) 4_575 4_575 ?
O21 Dy3 O23 79.38(9) . 4_575 ?
O2W Dy3 O23 69.23(8) . 4_575 ?
O1 Dy3 O23 131.44(7) 4_575 4_575 ?
O27 Dy3 O23 132.97(9) . 4_575 ?
O7 Dy4 O12 119.69(7) . 1_554 ?
O7 Dy4 O18 159.00(7) . . ?
O12 Dy4 O18 81.00(8) 1_554 . ?
O7 Dy4 O4 94.80(9) . 1_554 ?
O12 Dy4 O4 94.07(9) 1_554 1_554 ?
O18 Dy4 O4 79.10(8) . 1_554 ?
O7 Dy4 O15 76.29(8) . . ?
O12 Dy4 O15 77.80(9) 1_554 . ?
O18 Dy4 O15 114.44(8) . . ?
O4 Dy4 O15 162.36(9) 1_554 . ?
O7 Dy4 O19 93.55(7) . 4_566 ?
O12 Dy4 O19 128.39(7) 1_554 4_566 ?
O18 Dy4 O19 73.83(7) . 4_566 ?
O4 Dy4 O19 123.25(7) 1_554 4_566 ?
O15 Dy4 O19 73.10(8) . 4_566 ?
O7 Dy4 O20 76.33(7) . 4_566 ?
O12 Dy4 O20 162.11(8) 1_554 4_566 ?
O18 Dy4 O20 82.68(7) . 4_566 ?
O4 Dy4 O20 75.61(8) 1_554 4_566 ?
O15 Dy4 O20 115.96(8) . 4_566 ?
O19 Dy4 O20 52.41(6) 4_566 4_566 ?
O7 Dy4 O3 71.67(7) . 1_554 ?
O12 Dy4 O3 69.44(7) 1_554 1_554 ?
O18 Dy4 O3 116.72(7) . 1_554 ?
O4 Dy4 O3 50.37(7) 1_554 1_554 ?
O15 Dy4 O3 112.01(8) . 1_554 ?
O19 Dy4 O3 161.83(7) 4_566 1_554 ?
O20 Dy4 O3 112.16(7) 4_566 1_554 ?
O7 Dy4 C128 82.59(7) . 4_566 ?
O12 Dy4 C128 152.48(7) 1_554 4_566 ?
O18 Dy4 C128 78.82(7) . 4_566 ?
O4 Dy4 C128 100.24(8) 1_554 4_566 ?
O15 Dy4 C128 93.76(8) . 4_566 ?
O19 Dy4 C128 26.41(7) 4_566 4_566 ?
O20 Dy4 C128 26.12(7) 4_566 4_566 ?
O3 Dy4 C128 137.03(7) 1_554 4_566 ?
O7 Dy4 C15 84.01(7) . 1_554 ?
O12 Dy4 C15 79.98(8) 1_554 1_554 ?
O18 Dy4 C15 97.20(8) . 1_554 ?
O4 Dy4 C15 25.01(8) 1_554 1_554 ?
O15 Dy4 C15 137.40(8) . 1_554 ?
O19 Dy4 C15 146.44(7) 4_566 1_554 ?
O20 Dy4 C15 94.87(7) 4_566 1_554 ?
O3 Dy4 C15 25.43(7) 1_554 1_554 ?
C128 Dy4 C15 120.93(8) 4_566 1_554 ?
C1 O1 Dy3 139.48(19) . 4_576 ?
C1 O2 Dy1 143.3(2) . . ?
C15 O3 Dy4 87.39(17) . 1_556 ?
C15 O4 Dy4 101.67(18) . 1_556 ?
C29 O5 Dy1 112.09(18) . . ?
C29 O6 Dy3 173.4(2) . 4_576 ?
C56 O7 Dy4 166.47(18) . . ?
C56 O8 Dy3 158.2(2) . . ?
C57 O9 Dy1 142.56(18) . . ?
C57 O10 Dy2 154.58(19) . . ?
C84 O11 Dy2 144.79(19) . 4_566 ?
C84 O12 Dy4 141.25(18) . 1_556 ?
C85 O13 Dy1 132.65(18) . . ?
C85 O14 Dy2 151.3(2) . . ?
C100 O15 Dy4 118.98(19) . . ?
C100 O16 Dy2 171.1(2) . 4_565 ?
C113 O17 Dy2 119.04(16) . 4_565 ?
C113 O18 Dy4 161.36(18) . . ?
C128 O19 Dy4 93.73(16) . 4_565 ?
C128 O20 Dy4 92.38(15) . 4_565 ?
C141 O21 Dy3 127.8(2) . . ?
C141 O22 Dy1 160.7(3) . 4_575 ?
C168 O23 Dy3 135.92(18) . 4_576 ?
C168 O24 Dy1 148.39(19) . . ?
Dy1 O25 Dy2 122.04(9) . . ?
Dy1 O25 H25A 95(3) . . ?
Dy2 O25 H25A 129(3) . . ?
Dy1 O25 H25B 106(3) . . ?
Dy2 O25 H25B 91(3) . . ?
H25A O25 H25B 112.6(18) . . ?
Dy2 O1W H1A 118(3) . . ?
Dy2 O1W H1B 108(3) . . ?
H1A O1W H1B 113.0(18) . . ?
Dy3 O2W H2A 118(3) . . ?
Dy3 O2W H2B 128(3) . . ?
H2A O2W H2B 114.2(19) . . ?
O1 C1 O2 125.8(3) . . ?
O1 C1 C2 117.9(3) . . ?
O2 C1 C2 116.3(3) . . ?
C3 C2 C7 119.0(2) . . ?
C3 C2 C1 120.7(2) . . ?
C7 C2 C1 120.3(2) . . ?
C4 C3 C2 120.5(3) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 120.8(3) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 118.5(2) . . ?
C6 C5 C8 120.3(2) . . ?
C4 C5 C8 121.0(2) . . ?
C7 C6 C5 121.0(3) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C6 C7 C2 120.2(3) . . ?
C6 C7 H7 119.9 . . ?
C2 C7 H7 119.9 . . ?
C16 C8 C9 122.5(2) . . ?
C16 C8 C5 123.6(2) . . ?
C9 C8 C5 113.9(2) . . ?
C10 C9 C14 117.5(2) . . ?
C10 C9 C8 121.6(2) . . ?
C14 C9 C8 120.9(2) . . ?
C9 C10 C11 120.7(3) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C12 C11 C10 121.2(3) . . ?
C12 C11 H11 119.4 . . ?
C10 C11 H11 119.4 . . ?
C11 C12 C13 118.7(2) . . ?
C11 C12 C15 119.4(2) . . ?
C13 C12 C15 121.8(2) . . ?
C14 C13 C12 120.1(3) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C9 121.8(3) . . ?
C13 C14 H14 119.1 . . ?
C9 C14 H14 119.1 . . ?
O3 C15 O4 120.2(3) . . ?
O3 C15 C12 121.6(3) . . ?
O4 C15 C12 118.2(2) . . ?
O3 C15 Dy4 67.18(15) . 1_556 ?
O4 C15 Dy4 53.32(14) . 1_556 ?
C12 C15 Dy4 169.46(19) . 1_556 ?
C8 C16 C23 123.1(3) . . ?
C8 C16 C17 121.6(3) . . ?
C23 C16 C17 115.2(2) . . ?
C22 C17 C18 117.8(3) . . ?
C22 C17 C16 120.6(3) . . ?
C18 C17 C16 121.7(3) . . ?
C19 C18 C17 120.3(4) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C20 C19 C18 120.8(4) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C21 C20 C19 119.2(4) . . ?
C21 C20 H20 120.4 . . ?
C19 C20 H20 120.4 . . ?
C20 C21 C22 121.0(5) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 H21 119.5 . . ?
C21 C22 C17 121.0(4) . . ?
C21 C22 H22 119.5 . . ?
C17 C22 H22 119.5 . . ?
C28 C23 C24 117.6(3) . . ?
C28 C23 C16 122.6(3) . . ?
C24 C23 C16 119.8(3) . . ?
C25 C24 C23 120.9(5) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C26 C25 C24 120.5(5) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C25 C26 C27 119.9(4) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C28 119.9(5) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C23 C28 C27 121.2(4) . . ?
C23 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
O5 C29 O6 122.5(3) . . ?
O5 C29 C30 119.6(3) . . ?
O6 C29 C30 117.9(3) . . ?
C31 C30 C35 118.9(2) . . ?
C31 C30 C29 121.9(2) . . ?
C35 C30 C29 119.2(2) . . ?
C32 C31 C30 120.7(3) . . ?
C32 C31 H31 119.6 . . ?
C30 C31 H31 119.6 . . ?
C31 C32 C33 120.9(3) . . ?
C31 C32 H32 119.6 . . ?
C33 C32 H32 119.6 . . ?
C32 C33 C34 118.3(2) . . ?
C32 C33 C36 122.4(2) . . ?
C34 C33 C36 119.3(2) . . ?
C35 C34 C33 121.0(2) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C34 C35 C30 120.3(3) . . ?
C34 C35 H35 119.9 . . ?
C30 C35 H35 119.9 . . ?
C37 C36 C33 121.8(2) . . ?
C37 C36 C50 125.0(2) . . ?
C33 C36 C50 113.2(2) . . ?
C36 C37 C44 123.0(2) . . ?
C36 C37 C38 122.3(2) . . ?
C44 C37 C38 114.7(2) . . ?
C43 C38 C39 118.4(3) . . ?
C43 C38 C37 122.1(3) . . ?
C39 C38 C37 119.5(3) . . ?
C40 C39 C38 120.6(4) . . ?
C40 C39 H39 119.7 . . ?
C38 C39 H39 119.7 . . ?
C41 C40 C39 120.2(4) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C42 C41 C40 120.7(4) . . ?
C42 C41 H41 119.7 . . ?
C40 C41 H41 119.7 . . ?
C41 C42 C43 120.0(5) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 H42 120.0 . . ?
C38 C43 C42 120.1(4) . . ?
C38 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C49 C44 C45 117.3(3) . . ?
C49 C44 C37 122.5(3) . . ?
C45 C44 C37 120.2(3) . . ?
C46 C45 C44 121.2(4) . . ?
C46 C45 H45 119.4 . . ?
C44 C45 H45 119.4 . . ?
C47 C46 C45 120.2(4) . . ?
C47 C46 H46 119.9 . . ?
C45 C46 H46 119.9 . . ?
C46 C47 C48 120.0(4) . . ?
C46 C47 H47 120.0 . . ?
C48 C47 H47 120.0 . . ?
C47 C48 C49 120.2(4) . . ?
C47 C48 H48 119.9 . . ?
C49 C48 H48 119.9 . . ?
C44 C49 C48 121.1(4) . . ?
C44 C49 H49 119.5 . . ?
C48 C49 H49 119.5 . . ?
C55 C50 C51 117.9(2) . . ?
C55 C50 C36 120.6(2) . . ?
C51 C50 C36 121.4(2) . . ?
C52 C51 C50 120.8(2) . . ?
C52 C51 H51 119.6 . . ?
C50 C51 H51 119.6 . . ?
C51 C52 C53 120.7(2) . . ?
C51 C52 H52 119.6 . . ?
C53 C52 H52 119.6 . . ?
C54 C53 C52 119.0(2) . . ?
C54 C53 C56 121.1(2) . . ?
C52 C53 C56 119.8(2) . . ?
C53 C54 C55 119.7(2) . . ?
C53 C54 H54 120.1 . . ?
C55 C54 H54 120.1 . . ?
C50 C55 C54 121.7(2) . . ?
C50 C55 H55 119.1 . . ?
C54 C55 H55 119.1 . . ?
O7 C56 O8 124.5(2) . . ?
O7 C56 C53 117.3(2) . . ?
O8 C56 C53 118.3(2) . . ?
O9 C57 O10 125.5(2) . . ?
O9 C57 C58 117.8(2) . . ?
O10 C57 C58 116.7(2) . . ?
C63 C58 C59 118.6(2) . . ?
C63 C58 C57 121.4(2) . . ?
C59 C58 C57 120.0(2) . . ?
C60 C59 C58 120.6(3) . . ?
C60 C59 H59 119.7 . . ?
C58 C59 H59 119.7 . . ?
C59 C60 C61 121.2(3) . . ?
C59 C60 H60 119.4 . . ?
C61 C60 H60 119.4 . . ?
C60 C61 C62 118.0(3) . . ?
C60 C61 C64 119.7(2) . . ?
C62 C61 C64 122.3(2) . . ?
C63 C62 C61 120.7(3) . . ?
C63 C62 H62 119.7 . . ?
C61 C62 H62 119.7 . . ?
C58 C63 C62 120.9(3) . . ?
C58 C63 H63 119.5 . . ?
C62 C63 H63 119.5 . . ?
C65 C64 C78 125.2(2) . . ?
C65 C64 C61 122.3(2) . . ?
C78 C64 C61 112.3(2) . . ?
C64 C65 C66 121.7(3) . . ?
C64 C65 C72 123.7(3) . . ?
C66 C65 C72 114.6(3) . . ?
C71 C66 C67 118.3(3) . . ?
C71 C66 C65 120.9(3) . . ?
C67 C66 C65 120.8(3) . . ?
C68 C67 C66 120.7(4) . . ?
C68 C67 H67 119.6 . . ?
C66 C67 H67 119.6 . . ?
C69 C68 C67 120.4(4) . . ?
C69 C68 H68 119.8 . . ?
C67 C68 H68 119.8 . . ?
C68 C69 C70 119.9(4) . . ?
C68 C69 H69 120.0 . . ?
C70 C69 H69 120.0 . . ?
C69 C70 C71 120.1(4) . . ?
C69 C70 H70 120.0 . . ?
C71 C70 H70 120.0 . . ?
C66 C71 C70 120.6(4) . . ?
C66 C71 H71 119.7 . . ?
C70 C71 H71 119.7 . . ?
C77 C72 C73 118.6(4) . . ?
C77 C72 C65 122.7(4) . . ?
C73 C72 C65 118.7(3) . . ?
C74 C73 C72 120.7(5) . . ?
C74 C73 H73 119.6 . . ?
C72 C73 H73 119.6 . . ?
C75 C74 C73 119.9(6) . . ?
C75 C74 H74 120.1 . . ?
C73 C74 H74 120.1 . . ?
C74 C75 C76 121.1(5) . . ?
C74 C75 H75 119.5 . . ?
C76 C75 H75 119.5 . . ?
C75 C76 C77 119.8(5) . . ?
C75 C76 H76 120.1 . . ?
C77 C76 H76 120.1 . . ?
C72 C77 C76 119.9(5) . . ?
C72 C77 H77 120.0 . . ?
C76 C77 H77 120.0 . . ?
C83 C78 C79 118.1(2) . . ?
C83 C78 C64 120.5(3) . . ?
C79 C78 C64 120.8(3) . . ?
C81 C79 C78 120.8(3) . . ?
C81 C79 H79 119.6 . . ?
C78 C79 H79 119.6 . . ?
C83 C80 C82 120.5(2) . . ?
C83 C80 H80 119.8 . . ?
C82 C80 H80 119.8 . . ?
C79 C81 C82 120.1(3) . . ?
C79 C81 H81 119.9 . . ?
C82 C81 H81 119.9 . . ?
C80 C82 C81 119.2(2) . . ?
C80 C82 C84 119.5(2) . . ?
C81 C82 C84 121.3(2) . . ?
C80 C83 C78 121.2(3) . . ?
C80 C83 H83 119.4 . . ?
C78 C83 H83 119.4 . . ?
O11 C84 O12 124.8(2) . . ?
O11 C84 C82 116.8(2) . . ?
O12 C84 C82 118.3(2) . . ?
O14 C85 O13 124.7(3) . . ?
O14 C85 C86 117.1(2) . . ?
O13 C85 C86 118.2(2) . . ?
C91 C86 C87 119.3(2) . . ?
C91 C86 C85 119.6(2) . . ?
C87 C86 C85 121.1(2) . . ?
C88 C87 C86 120.2(2) . . ?
C88 C87 H87 119.9 . . ?
C86 C87 H87 119.9 . . ?
C87 C88 C89 120.9(3) . . ?
C87 C88 H88 119.5 . . ?
C89 C88 H88 119.5 . . ?
C90 C89 C88 118.3(2) . . ?
C90 C89 C92 120.2(2) . . ?
C88 C89 C92 121.3(2) . . ?
C91 C90 C89 121.1(3) . . ?
C91 C90 H90 119.5 . . ?
C89 C90 H90 119.5 . . ?
C90 C91 C86 120.1(3) . . ?
C90 C91 H91 119.9 . . ?
C86 C91 H91 119.9 . . ?
C93 C92 C94 122.6(2) . . ?
C93 C92 C89 122.8(2) . . ?
C94 C92 C89 114.5(2) . . ?
C92 C93 C101 123.6(2) . . ?
C92 C93 C107 121.3(3) . . ?
C101 C93 C107 115.2(2) . . ?
C95 C94 C99 117.8(3) . . ?
C95 C94 C92 121.1(3) . . ?
C99 C94 C92 120.9(3) . . ?
C94 C95 C96 121.3(3) . . ?
C94 C95 H95 119.4 . . ?
C96 C95 H95 119.4 . . ?
C97 C96 C95 120.4(3) . . ?
C97 C96 H96 119.8 . . ?
C95 C96 H96 119.8 . . ?
C96 C97 C98 118.8(3) . . ?
C96 C97 C100 121.0(3) . . ?
C98 C97 C100 120.2(3) . . ?
C99 C98 C97 120.6(3) . . ?
C99 C98 H98 119.7 . . ?
C97 C98 H98 119.7 . . ?
C98 C99 C94 121.1(3) . . ?
C98 C99 H99 119.5 . . ?
C94 C99 H99 119.5 . . ?
O15 C100 O16 123.9(3) . . ?
O15 C100 C97 118.8(3) . . ?
O16 C100 C97 117.2(3) . . ?
C106 C101 C102 118.1(3) . . ?
C106 C101 C93 121.5(3) . . ?
C102 C101 C93 120.3(3) . . ?
C103 C102 C101 120.9(4) . . ?
C103 C102 H102 119.5 . . ?
C101 C102 H102 119.5 . . ?
C104 C103 C102 120.2(4) . . ?
C104 C103 H103 119.9 . . ?
C102 C103 H103 119.9 . . ?
C103 C104 C105 120.0(4) . . ?
C103 C104 H104 120.0 . . ?
C105 C104 H104 120.0 . . ?
C104 C105 C106 119.8(4) . . ?
C104 C105 H105 120.1 . . ?
C106 C105 H105 120.1 . . ?
C101 C106 C105 120.9(4) . . ?
C101 C106 H106 119.5 . . ?
C105 C106 H106 119.5 . . ?
C112 C107 C108 118.2(3) . . ?
C112 C107 C93 121.5(3) . . ?
C108 C107 C93 120.3(3) . . ?
C107 C108 C109 121.2(4) . . ?
C107 C108 H108 119.4 . . ?
C109 C108 H108 119.4 . . ?
C110 C109 C108 119.9(4) . . ?
C110 C109 H109 120.1 . . ?
C108 C109 H109 120.1 . . ?
C109 C110 C111 119.9(4) . . ?
C109 C110 H110 120.0 . . ?
C111 C110 H110 120.0 . . ?
C110 C111 C112 120.2(4) . . ?
C110 C111 H111 119.9 . . ?
C112 C111 H111 119.9 . . ?
C107 C112 C111 120.6(4) . . ?
C107 C112 H112 119.7 . . ?
C111 C112 H112 119.7 . . ?
O18 C113 O17 122.1(2) . . ?
O18 C113 C114 119.7(2) . . ?
O17 C113 C114 118.2(2) . . ?
C115 C114 C119 118.8(2) . . ?
C115 C114 C113 120.5(2) . . ?
C119 C114 C113 120.7(2) . . ?
C116 C115 C114 120.6(2) . . ?
C116 C115 H115 119.7 . . ?
C114 C115 H115 119.7 . . ?
C115 C116 C117 121.7(2) . . ?
C115 C116 H116 119.2 . . ?
C117 C116 H116 119.2 . . ?
C118 C117 C116 116.8(2) . . ?
C118 C117 C120 122.2(2) . . ?
C116 C117 C120 120.8(2) . . ?
C119 C118 C117 121.9(2) . . ?
C119 C118 H118 119.0 . . ?
C117 C118 H118 119.0 . . ?
C118 C119 C114 120.1(2) . . ?
C118 C119 H119 120.0 . . ?
C114 C119 H119 119.9 . . ?
C121 C120 C117 124.5(2) . . ?
C121 C120 C122 120.4(2) . . ?
C117 C120 C122 115.1(2) . . ?
C120 C121 C129 123.7(3) . . ?
C120 C121 C135 122.6(3) . . ?
C129 C121 C135 113.7(2) . . ?
C123 C122 C127 118.2(2) . . ?
C123 C122 C120 120.8(2) . . ?
C127 C122 C120 121.0(2) . . ?
C124 C123 C122 120.9(2) . . ?
C124 C123 H123 111.4 . . ?
C122 C123 H123 109.2 . . ?
C123 C124 C125 120.9(3) . . ?
C123 C124 H124 119.5 . . ?
C125 C124 H124 119.5 . . ?
C124 C125 C126 118.4(2) . . ?
C124 C125 C128 119.9(2) . . ?
C126 C125 C128 121.5(2) . . ?
C127 C126 C125 120.9(3) . . ?
C127 C126 H126 119.6 . . ?
C125 C126 H126 119.6 . . ?
C126 C127 C122 120.7(3) . . ?
C126 C127 H127 119.6 . . ?
C122 C127 H127 119.6 . . ?
O20 C128 O19 120.9(2) . . ?
O20 C128 C125 120.6(2) . . ?
O19 C128 C125 118.4(2) . . ?
O20 C128 Dy4 61.50(13) . 4_565 ?
O19 C128 Dy4 59.86(14) . 4_565 ?
C125 C128 Dy4 169.73(18) . 4_565 ?
C134 C129 C130 118.5(3) . . ?
C134 C129 C121 121.9(3) . . ?
C130 C129 C121 119.7(3) . . ?
C129 C130 C131 121.0(4) . . ?
C129 C130 H130 119.5 . . ?
C131 C130 H130 119.5 . . ?
C132 C131 C130 119.8(4) . . ?
C132 C131 H131 120.1 . . ?
C130 C131 H131 120.1 . . ?
C131 C132 C133 120.4(4) . . ?
C131 C132 H132 119.8 . . ?
C133 C132 H132 119.8 . . ?
C132 C133 C134 120.0(5) . . ?
C132 C133 H133 120.0 . . ?
C134 C133 H133 120.0 . . ?
C129 C134 C133 120.4(4) . . ?
C129 C134 H134 119.8 . . ?
C133 C134 H134 119.8 . . ?
C140 C135 C136 118.0(3) . . ?
C140 C135 C121 121.6(3) . . ?
C136 C135 C121 120.4(3) . . ?
C137 C136 C135 121.0(4) . . ?
C137 C136 H136 119.5 . . ?
C135 C136 H136 119.5 . . ?
C138 C137 C136 120.1(4) . . ?
C138 C137 H137 119.9 . . ?
C136 C137 H137 119.9 . . ?
C137 C138 C139 119.9(4) . . ?
C137 C138 H138 120.1 . . ?
C139 C138 H138 120.1 . . ?
C138 C139 C140 120.9(5) . . ?
C138 C139 H139 119.6 . . ?
C140 C139 H139 119.6 . . ?
C135 C140 C139 120.1(4) . . ?
C135 C140 H140 120.0 . . ?
C139 C140 H140 120.0 . . ?
O22 C141 O21 123.8(3) . . ?
O22 C141 C142 117.9(3) . . ?
O21 C141 C142 118.4(3) . . ?
C143 C142 C147 118.8(3) . . ?
C143 C142 C141 121.1(3) . . ?
C147 C142 C141 120.0(3) . . ?
C142 C143 C144 120.1(3) . . ?
C142 C143 H143 120.0 . . ?
C144 C143 H143 120.0 . . ?
C143 C144 C145 121.7(3) . . ?
C143 C144 H144 119.2 . . ?
C145 C144 H144 119.2 . . ?
C144 C145 C146 117.8(3) . . ?
C144 C145 C148 121.0(3) . . ?
C146 C145 C148 121.1(3) . . ?
C147 C146 C145 120.6(3) . . ?
C147 C146 H146 119.7 . . ?
C145 C146 H146 119.7 . . ?
C146 C147 C142 120.9(3) . . ?
C146 C147 H147 119.5 . . ?
C142 C147 H147 119.5 . . ?
C149 C148 C162 123.8(3) . . ?
C149 C148 C145 122.4(3) . . ?
C162 C148 C145 113.8(2) . . ?
C148 C149 C150 121.2(3) . . ?
C148 C149 C156 122.6(3) . . ?
C150 C149 C156 116.2(2) . . ?
C155 C150 C151 118.2(3) . . ?
C155 C150 C149 121.9(3) . . ?
C151 C150 C149 119.8(3) . . ?
C150 C151 C152 120.5(4) . . ?
C150 C151 H151 119.7 . . ?
C152 C151 H151 119.7 . . ?
C153 C152 C151 120.4(5) . . ?
C153 C152 H152 119.8 . . ?
C151 C152 H152 119.8 . . ?
C152 C153 C154 120.7(4) . . ?
C152 C153 H153 119.7 . . ?
C154 C153 H153 119.7 . . ?
C153 C154 C155 119.2(5) . . ?
C153 C154 H154 120.4 . . ?
C155 C154 H154 120.4 . . ?
C150 C155 C154 120.9(5) . . ?
C150 C155 H155 119.5 . . ?
C154 C155 H155 119.5 . . ?
C157 C156 C161 118.1(3) . . ?
C157 C156 C149 121.6(3) . . ?
C161 C156 C149 120.2(3) . . ?
C156 C157 C158 120.2(4) . . ?
C156 C157 H157 119.9 . . ?
C158 C157 H157 119.9 . . ?
C159 C158 C157 120.5(5) . . ?
C159 C158 H158 119.7 . . ?
C157 C158 H158 119.7 . . ?
C158 C159 C160 120.5(4) . . ?
C158 C159 H159 119.8 . . ?
C160 C159 H159 119.8 . . ?
C159 C160 C161 119.7(4) . . ?
C159 C160 H160 120.1 . . ?
C161 C160 H160 120.1 . . ?
C160 C161 C156 120.9(4) . . ?
C160 C161 H161 119.5 . . ?
C156 C161 H161 119.5 . . ?
C163 C162 C167 118.2(3) . . ?
C163 C162 C148 120.8(3) . . ?
C167 C162 C148 120.8(3) . . ?
C162 C163 C164 121.0(3) . . ?
C162 C163 H163 119.5 . . ?
C164 C163 H163 119.5 . . ?
C165 C164 C163 121.0(3) . . ?
C165 C164 H164 119.5 . . ?
C163 C164 H164 119.5 . . ?
C164 C165 C166 118.4(3) . . ?
C164 C165 C168 119.3(2) . . ?
C166 C165 C168 122.2(2) . . ?
C167 C166 C165 120.8(3) . . ?
C167 C166 H166 119.6 . . ?
C165 C166 H166 119.6 . . ?
C166 C167 C162 120.6(3) . . ?
C166 C167 H167 119.7 . . ?
C162 C167 H167 119.7 . . ?
O23 C168 O24 125.1(3) . . ?
O23 C168 C165 119.5(2) . . ?
O24 C168 C165 115.3(2) . . ?
C169 O26 Dy2 151.8(3) . . ?
C169 N1 C171 119.4(4) . . ?
C169 N1 C172 123.0(4) . . ?
C171 N1 C172 117.7(4) . . ?
O26 C169 N1 119.7(4) . . ?
O26 C169 C170 122.5(3) . . ?
N1 C169 C170 117.8(3) . . ?
C169 C170 H17A 109.5 . . ?
C169 C170 H17B 109.5 . . ?
H17A C170 H17B 109.5 . . ?
C169 C170 H17C 109.5 . . ?
H17A C170 H17C 109.5 . . ?
H17B C170 H17C 109.5 . . ?
N1 C171 H17D 109.5 . . ?
N1 C171 H17E 109.5 . . ?
H17D C171 H17E 109.5 . . ?
N1 C171 H17F 109.5 . . ?
H17D C171 H17F 109.5 . . ?
H17E C171 H17F 109.5 . . ?
N1 C172 H17G 109.5 . . ?
N1 C172 H17H 109.5 . . ?
H17G C172 H17H 109.5 . . ?
N1 C172 H17I 109.5 . . ?
H17G C172 H17I 109.5 . . ?
H17H C172 H17I 109.5 . . ?
C17A O27 Dy3 153.5(4) . . ?
C173 O27 Dy3 160.2(4) . . ?
C173 N2 C175 115.1(9) . . ?
C173 N2 C176 123.1(10) . . ?
C175 N2 C176 121.7(12) . . ?
O27 C173 N2 121.0(7) . . ?
O27 C173 C174 125.4(7) . . ?
N2 C173 C174 113.1(7) . . ?
C173 C174 H17J 109.5 . . ?
C173 C174 H17K 109.5 . . ?
H17J C174 H17K 109.5 . . ?
C173 C174 H17L 109.5 . . ?
H17J C174 H17L 109.5 . . ?
H17K C174 H17L 109.5 . . ?
N2 C175 H17M 109.5 . . ?
N2 C175 H17N 109.5 . . ?
H17M C175 H17N 109.5 . . ?
N2 C175 H17O 109.5 . . ?
H17M C175 H17O 109.5 . . ?
H17N C175 H17O 109.5 . . ?
N2 C176 H17P 109.5 . . ?
N2 C176 H17Q 109.5 . . ?
H17P C176 H17Q 109.5 . . ?
N2 C176 H17R 109.5 . . ?
H17P C176 H17R 109.5 . . ?
H17Q C176 H17R 109.5 . . ?
C17A N2B C17C 114.5(12) . . ?
C17A N2B C17D 118.5(12) . . ?
C17C N2B C17D 127.0(16) . . ?
O27 C17A N2B 117.3(8) . . ?
O27 C17A C17B 126.8(10) . . ?
N2B C17A C17B 115.8(9) . . ?
C17A C17B H17S 109.5 . . ?
C17A C17B H17T 109.5 . . ?
H17S C17B H17T 109.5 . . ?
C17A C17B H17U 109.5 . . ?
H17S C17B H17U 109.5 . . ?
H17T C17B H17U 109.5 . . ?
N2B C17C H17V 109.5 . . ?
N2B C17C H17W 109.5 . . ?
H17V C17C H17W 109.5 . . ?
N2B C17C H17X 109.5 . . ?
H17V C17C H17X 109.5 . . ?
H17W C17C H17X 109.5 . . ?
N2B C17D H17Y 109.5 . . ?
N2B C17D H17Z 109.5 . . ?
H17Y C17D H17Z 109.5 . . ?
N2B C17D H18A 109.5 . . ?
H17Y C17D H18A 109.5 . . ?
H17Z C17D H18A 109.5 . . ?
C177 N3 C180 127(3) . . ?
C177 N3 C179 105(3) . . ?
C180 N3 C179 127(3) . . ?
O28 C177 N3 138(3) . . ?
O28 C177 C178 122.5(16) . . ?
N3 C177 C178 99(2) . . ?
C177 C178 C179 77.8(17) . . ?
C177 C178 H18B 109.5 . . ?
C179 C178 H18B 31.7 . . ?
C177 C178 H18C 109.5 . . ?
C179 C178 H18C 123.4 . . ?
H18B C178 H18C 109.5 . . ?
C177 C178 H18D 109.5 . . ?
C179 C178 H18D 120.8 . . ?
H18B C178 H18D 109.5 . . ?
H18C C178 H18D 109.5 . . ?
N3 C179 C178 78(2) . . ?
N3 C179 H18E 109.5 . . ?
C178 C179 H18E 172.2 . . ?
N3 C179 H18F 109.5 . . ?
C178 C179 H18F 64.7 . . ?
H18E C179 H18F 109.5 . . ?
N3 C179 H18G 109.5 . . ?
C178 C179 H18G 69.3 . . ?
H18E C179 H18G 109.5 . . ?
H18F C179 H18G 109.5 . . ?
N3 C180 H18H 109.5 . . ?
N3 C180 H18I 109.5 . . ?
H18H C180 H18I 109.5 . . ?
N3 C180 H18J 109.5 . . ?
H18H C180 H18J 109.5 . . ?
H18I C180 H18J 109.5 . . ?
C17E N3B C17H 122.5(11) . . ?
C17E N3B C17G 123.1(10) . . ?
C17H N3B C17G 114.3(11) . . ?
O28B C17E N3B 112.2(10) . . ?
O28B C17E C17F 134.9(10) . . ?
N3B C17E C17F 112.9(10) . . ?
C17E C17F H18K 109.5 . . ?
C17E C17F H18L 109.5 . . ?
H18K C17F H18L 109.5 . . ?
C17E C17F H18M 109.5 . . ?
H18K C17F H18M 109.5 . . ?
H18L C17F H18M 109.5 . . ?
N3B C17G H18N 109.5 . . ?
N3B C17G H18O 109.5 . . ?
H18N C17G H18O 109.5 . . ?
N3B C17G H18P 109.5 . . ?
H18N C17G H18P 109.5 . . ?
H18O C17G H18P 109.5 . . ?
N3B C17H H18Q 109.5 . . ?
N3B C17H H18R 109.5 . . ?
H18Q C17H H18R 109.5 . . ?
N3B C17H H18S 109.5 . . ?
H18Q C17H H18S 109.5 . . ?
H18R C17H H18S 109.5 . . ?
C181 N4 C184 122.7(5) . . ?
C181 N4 C183 114.3(5) . . ?
C184 N4 C183 122.8(5) . . ?
O29 C181 N4 123.0(4) . . ?
O29 C181 C182 121.0(4) . . ?
N4 C181 C182 116.0(4) . . ?
C181 C182 H18T 109.5 . . ?
C181 C182 H18U 109.5 . . ?
H18T C182 H18U 109.5 . . ?
C181 C182 H18V 109.5 . . ?
H18T C182 H18V 109.5 . . ?
H18U C182 H18V 109.5 . . ?
N4 C183 H18W 109.5 . . ?
N4 C183 H18X 109.5 . . ?
H18W C183 H18X 109.5 . . ?
N4 C183 H18Y 109.5 . . ?
H18W C183 H18Y 109.5 . . ?
H18X C183 H18Y 109.5 . . ?
N4 C184 H18Z 109.5 . . ?
N4 C184 H19A 109.5 . . ?
H18Z C184 H19A 109.5 . . ?
N4 C184 H19B 109.5 . . ?
H18Z C184 H19B 109.5 . . ?
H19A C184 H19B 109.5 . . ?
C185 N5 C187 122.8(5) . . ?
C185 N5 C188 121.0(5) . . ?
C187 N5 C188 116.1(5) . . ?
O30 C185 N5 117.6(5) . . ?
O30 C185 C186 125.1(5) . . ?
N5 C185 C186 117.2(5) . . ?
C185 C186 H19C 109.5 . . ?
C185 C186 H19D 109.5 . . ?
H19C C186 H19D 109.5 . . ?
C185 C186 H19E 109.5 . . ?
H19C C186 H19E 109.5 . . ?
H19D C186 H19E 109.5 . . ?
N5 C187 H19F 109.5 . . ?
N5 C187 H19G 109.5 . . ?
H19F C187 H19G 109.5 . . ?
N5 C187 H19H 109.5 . . ?
H19F C187 H19H 109.5 . . ?
H19G C187 H19H 109.5 . . ?
N5 C188 H19I 109.5 . . ?
N5 C188 H19J 109.5 . . ?
H19I C188 H19J 109.5 . . ?
N5 C188 H19K 109.5 . . ?
H19I C188 H19K 109.5 . . ?
H19J C188 H19K 109.5 . . ?
C189 N6 C191 119.8(12) . . ?
C189 N6 C192 115.3(11) . . ?
C191 N6 C192 124.4(12) . . ?
O31 C189 N6 119.7(9) . . ?
O31 C189 C190 123.1(10) . . ?
N6 C189 C190 117.3(10) . . ?
C189 C190 H19L 109.5 . . ?
C189 C190 H19M 109.5 . . ?
H19L C190 H19M 109.5 . . ?
C189 C190 H19N 109.5 . . ?
H19L C190 H19N 109.5 . . ?
H19M C190 H19N 109.5 . . ?
N6 C191 H19O 109.5 . . ?
N6 C191 H19P 109.5 . . ?
H19O C191 H19P 109.5 . . ?
N6 C191 H19Q 109.5 . . ?
H19O C191 H19Q 109.5 . . ?
H19P C191 H19Q 109.5 . . ?
N6 C192 H19R 109.5 . . ?
N6 C192 H19S 109.5 . . ?
H19R C192 H19S 109.5 . . ?
N6 C192 H19T 109.5 . . ?
H19R C192 H19T 109.5 . . ?
H19S C192 H19T 109.5 . . ?
C18A N6B C18C 117.2(16) . . ?
C18A N6B C18D 112.1(12) . . ?
C18C N6B C18D 124.2(17) . . ?
O31B C18A N6B 119.7(11) . . ?
O31B C18A C18B 125.8(17) . . ?
N6B C18A C18B 113.6(16) . . ?
C18A C18B H19U 109.5 . . ?
C18A C18B H19V 109.5 . . ?
H19U C18B H19V 109.5 . . ?
C18A C18B H19W 109.5 . . ?
H19U C18B H19W 109.5 . . ?
H19V C18B H19W 109.5 . . ?
N6B C18C H19X 109.5 . . ?
N6B C18C H19Y 109.5 . . ?
H19X C18C H19Y 109.5 . . ?
N6B C18C H19Z 109.5 . . ?
H19X C18C H19Z 109.5 . . ?
H19Y C18C H19Z 109.5 . . ?
N6B C18D H20K 109.5 . . ?
N6B C18D H20L 109.5 . . ?
H20K C18D H20L 109.5 . . ?
N6B C18D H29M 109.5 . . ?
H20K C18D H29M 109.5 . . ?
H20L C18D H29M 109.5 . . ?
C193 N7 C196 118.1(5) . . ?
C193 N7 C195 120.5(5) . . ?
C196 N7 C195 121.4(6) . . ?
O32 C193 N7 119.4(6) . . ?
O32 C193 C194 123.9(6) . . ?
N7 C193 C194 116.6(6) . . ?
C193 C194 H20D 109.5 . . ?
C193 C194 H20E 109.5 . . ?
H20D C194 H20E 109.5 . . ?
C193 C194 H20F 109.5 . . ?
H20D C194 H20F 109.5 . . ?
H20E C194 H20F 109.5 . . ?
N7 C195 H20G 109.5 . . ?
N7 C195 H20H 109.5 . . ?
H20G C195 H20H 109.5 . . ?
N7 C195 H20I 109.5 . . ?
H20G C195 H20I 109.5 . . ?
H20H C195 H20I 109.5 . . ?
N7 C196 H21D 109.5 . . ?
N7 C196 H21E 109.5 . . ?
H21D C196 H21E 109.5 . . ?
N7 C196 H21F 109.5 . . ?
H21D C196 H21F 109.5 . . ?
H21E C196 H21F 109.5 . . ?
C197 N8 C200 121.2(7) . . ?
C197 N8 C199 115.9(6) . . ?
C200 N8 C199 123.0(7) . . ?
O33 C197 N8 120.5(6) . . ?
O33 C197 C198 121.8(5) . . ?
N8 C197 C198 117.7(6) . . ?
C197 C198 H21N 109.5 . . ?
C197 C198 H21P 109.5 . . ?
H21N C198 H21P 109.5 . . ?
C197 C198 H21O 109.5 . . ?
H21N C198 H21O 109.5 . . ?
H21P C198 H21O 109.5 . . ?
N8 C199 H22D 109.5 . . ?
N8 C199 H22E 109.5 . . ?
H22D C199 H22E 109.5 . . ?
N8 C199 H22F 109.5 . . ?
H22D C199 H22F 109.5 . . ?
H22E C199 H22F 109.5 . . ?
N8 C200 H22G 109.5 . . ?
N8 C200 H22H 109.5 . . ?
H22G C200 H22H 109.5 . . ?
N8 C200 H22I 109.5 . . ?
H22G C200 H22I 109.5 . . ?
H22H C200 H22I 109.5 . . ?
C201 N9 C204 127.5(6) . . ?
C201 N9 C203 117.2(7) . . ?
C204 N9 C203 115.3(8) . . ?
O34 C201 N9 122.4(7) . . ?
O34 C201 C202 119.1(9) . . ?
N9 C201 C202 118.4(7) . . ?
C201 C202 H23D 109.5 . . ?
C201 C202 H23E 109.5 . . ?
H23D C202 H23E 109.5 . . ?
C201 C202 H23F 109.5 . . ?
H23D C202 H23F 109.5 . . ?
H23E C202 H23F 109.5 . . ?
N9 C203 H24G 109.5 . . ?
N9 C203 H24H 109.5 . . ?
H24G C203 H24H 109.5 . . ?
N9 C203 H24I 109.5 . . ?
H24G C203 H24I 109.5 . . ?
H24H C203 H24I 109.5 . . ?
N9 C204 H25J 109.5 . . ?
N9 C204 H25K 109.5 . . ?
H25J C204 H25K 109.5 . . ?
N9 C204 H25L 109.5 . . ?
H25J C204 H25L 109.5 . . ?
H25K C204 H25L 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O24 2.258(2) . ?
Dy1 O22 2.262(2) 4_576 ?
Dy1 O2 2.2765(19) . ?
Dy1 O9 2.3056(18) . ?
Dy1 O13 2.3099(18) . ?
Dy1 O5 2.362(2) . ?
Dy1 O25 2.489(2) . ?
Dy2 O14 2.249(2) . ?
Dy2 O16 2.254(2) 4_566 ?
Dy2 O10 2.2839(19) . ?
Dy2 O11 2.2882(19) 4_565 ?
Dy2 O17 2.3499(18) 4_566 ?
Dy2 O26 2.404(2) . ?
Dy2 O1W 2.410(2) . ?
Dy2 O25 2.873(2) . ?
Dy3 O8 2.2515(19) . ?
Dy3 O6 2.270(2) 4_575 ?
Dy3 O21 2.277(2) . ?
Dy3 O2W 2.328(2) . ?
Dy3 O1 2.3340(19) 4_575 ?
Dy3 O27 2.341(2) . ?
Dy3 O23 2.3723(19) 4_575 ?
Dy4 O7 2.2817(18) . ?
Dy4 O12 2.3025(19) 1_554 ?
Dy4 O18 2.3101(18) . ?
Dy4 O4 2.367(2) 1_554 ?
Dy4 O15 2.368(2) . ?
Dy4 O19 2.454(2) 4_566 ?
Dy4 O20 2.4908(18) 4_566 ?
Dy4 O3 2.667(2) 1_554 ?
Dy4 C128 2.832(3) 4_566 ?
Dy4 C15 2.890(3) 1_554 ?
O1 C1 1.252(4) . ?
O2 C1 1.258(4) . ?
O3 C15 1.242(3) . ?
O4 C15 1.248(4) . ?
O5 C29 1.245(4) . ?
O6 C29 1.263(4) . ?
O7 C56 1.239(3) . ?
O8 C56 1.257(3) . ?
O9 C57 1.255(3) . ?
O10 C57 1.256(3) . ?
O11 C84 1.250(3) . ?
O12 C84 1.255(3) . ?
O13 C85 1.251(3) . ?
O14 C85 1.247(3) . ?
O15 C100 1.247(4) . ?
O16 C100 1.258(4) . ?
O17 C113 1.259(3) . ?
O18 C113 1.254(3) . ?
O19 C128 1.262(3) . ?
O20 C128 1.248(3) . ?
O21 C141 1.252(4) . ?
O22 C141 1.242(4) . ?
O23 C168 1.249(3) . ?
O24 C168 1.250(3) . ?
O25 H25A 0.831(10) . ?
O25 H25B 0.825(10) . ?
O1W H1A 0.826(10) . ?
O1W H1B 0.829(10) . ?
O2W H2A 0.822(10) . ?
O2W H2B 0.827(10) . ?
C1 C2 1.499(3) . ?
C2 C3 1.385(4) . ?
C2 C7 1.395(4) . ?
C3 C4 1.377(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.396(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.384(4) . ?
C5 C8 1.490(4) . ?
C6 C7 1.382(4) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C16 1.349(4) . ?
C8 C9 1.487(4) . ?
C9 C10 1.386(4) . ?
C9 C14 1.393(4) . ?
C10 C11 1.387(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.377(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.383(4) . ?
C12 C15 1.504(4) . ?
C13 C14 1.379(4) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C16 C23 1.491(4) . ?
C16 C17 1.492(4) . ?
C17 C22 1.390(5) . ?
C17 C18 1.399(4) . ?
C18 C19 1.384(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.378(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.362(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.377(5) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C28 1.378(5) . ?
C23 C24 1.393(5) . ?
C24 C25 1.383(6) . ?
C24 H24 0.9300 . ?
C25 C26 1.352(8) . ?
C25 H25 0.9300 . ?
C26 C27 1.376(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.386(6) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C30 1.499(4) . ?
C30 C31 1.384(4) . ?
C30 C35 1.388(4) . ?
C31 C32 1.380(4) . ?
C31 H31 0.9300 . ?
C32 C33 1.383(4) . ?
C32 H32 0.9300 . ?
C33 C34 1.395(4) . ?
C33 C36 1.496(3) . ?
C34 C35 1.379(4) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C36 C37 1.345(4) . ?
C36 C50 1.501(4) . ?
C37 C44 1.487(4) . ?
C37 C38 1.497(4) . ?
C38 C43 1.383(5) . ?
C38 C39 1.395(5) . ?
C39 C40 1.379(6) . ?
C39 H39 0.9300 . ?
C40 C41 1.363(7) . ?
C40 H40 0.9300 . ?
C41 C42 1.358(7) . ?
C41 H41 0.9300 . ?
C42 C43 1.401(5) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C44 C49 1.370(5) . ?
C44 C45 1.387(5) . ?
C45 C46 1.382(5) . ?
C45 H45 0.9300 . ?
C46 C47 1.350(7) . ?
C46 H46 0.9300 . ?
C47 C48 1.356(7) . ?
C47 H47 0.9300 . ?
C48 C49 1.391(5) . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
C50 C55 1.388(4) . ?
C50 C51 1.391(4) . ?
C51 C52 1.384(4) . ?
C51 H51 0.9300 . ?
C52 C53 1.389(4) . ?
C52 H52 0.9300 . ?
C53 C54 1.385(4) . ?
C53 C56 1.505(4) . ?
C54 C55 1.388(4) . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
C57 C58 1.499(3) . ?
C58 C63 1.376(4) . ?
C58 C59 1.379(4) . ?
C59 C60 1.378(4) . ?
C59 H59 0.9300 . ?
C60 C61 1.383(4) . ?
C60 H60 0.9300 . ?
C61 C62 1.384(4) . ?
C61 C64 1.499(4) . ?
C62 C63 1.383(4) . ?
C62 H62 0.9300 . ?
C63 H63 0.9300 . ?
C64 C65 1.348(4) . ?
C64 C78 1.489(4) . ?
C65 C66 1.491(4) . ?
C65 C72 1.492(4) . ?
C66 C71 1.382(5) . ?
C66 C67 1.392(4) . ?
C67 C68 1.379(5) . ?
C67 H67 0.9300 . ?
C68 C69 1.365(6) . ?
C68 H68 0.9300 . ?
C69 C70 1.374(6) . ?
C69 H69 0.9300 . ?
C70 C71 1.389(5) . ?
C70 H70 0.9300 . ?
C71 H71 0.9300 . ?
C72 C77 1.372(6) . ?
C72 C73 1.394(6) . ?
C73 C74 1.386(6) . ?
C73 H73 0.9300 . ?
C74 C75 1.345(9) . ?
C74 H74 0.9300 . ?
C75 C76 1.364(9) . ?
C75 H75 0.9300 . ?
C76 C77 1.405(6) . ?
C76 H76 0.9300 . ?
C77 H77 0.9300 . ?
C78 C83 1.384(4) . ?
C78 C79 1.401(4) . ?
C79 C81 1.383(4) . ?
C79 H79 0.9300 . ?
C80 C83 1.378(4) . ?
C80 C82 1.387(4) . ?
C80 H80 0.9300 . ?
C81 C82 1.387(4) . ?
C81 H81 0.9300 . ?
C82 C84 1.497(3) . ?
C83 H83 0.9300 . ?
C85 C86 1.498(4) . ?
C86 C91 1.385(4) . ?
C86 C87 1.393(4) . ?
C87 C88 1.380(4) . ?
C87 H87 0.9300 . ?
C88 C89 1.394(4) . ?
C88 H88 0.9300 . ?
C89 C90 1.388(4) . ?
C89 C92 1.489(4) . ?
C90 C91 1.384(4) . ?
C90 H90 0.9300 . ?
C91 H91 0.9300 . ?
C92 C93 1.351(4) . ?
C92 C94 1.487(4) . ?
C93 C101 1.489(4) . ?
C93 C107 1.495(4) . ?
C94 C95 1.382(4) . ?
C94 C99 1.392(4) . ?
C95 C96 1.385(4) . ?
C95 H95 0.9300 . ?
C96 C97 1.376(4) . ?
C96 H96 0.9300 . ?
C97 C98 1.390(4) . ?
C97 C100 1.505(4) . ?
C98 C99 1.373(4) . ?
C98 H98 0.9300 . ?
C99 H99 0.9300 . ?
C101 C106 1.383(5) . ?
C101 C102 1.384(4) . ?
C102 C103 1.382(5) . ?
C102 H102 0.9300 . ?
C103 C104 1.370(6) . ?
C103 H103 0.9300 . ?
C104 C105 1.371(6) . ?
C104 H104 0.9300 . ?
C105 C106 1.390(5) . ?
C105 H105 0.9300 . ?
C106 H106 0.9300 . ?
C107 C112 1.378(5) . ?
C107 C108 1.383(5) . ?
C108 C109 1.384(5) . ?
C108 H108 0.9300 . ?
C109 C110 1.362(7) . ?
C109 H109 0.9300 . ?
C110 C111 1.375(7) . ?
C110 H110 0.9300 . ?
C111 C112 1.387(5) . ?
C111 H111 0.9300 . ?
C112 H112 0.9300 . ?
C113 C114 1.499(3) . ?
C114 C115 1.388(4) . ?
C114 C119 1.390(4) . ?
C115 C116 1.376(4) . ?
C115 H115 0.9300 . ?
C116 C117 1.402(4) . ?
C116 H116 0.9300 . ?
C117 C118 1.393(4) . ?
C117 C120 1.494(4) . ?
C118 C119 1.385(4) . ?
C118 H118 0.9300 . ?
C119 H119 0.9300 . ?
C120 C121 1.352(4) . ?
C120 C122 1.494(4) . ?
C121 C129 1.490(4) . ?
C121 C135 1.496(4) . ?
C122 C123 1.390(4) . ?
C122 C127 1.395(4) . ?
C123 C124 1.383(4) . ?
C123 H123 0.8597 . ?
C124 C125 1.386(4) . ?
C124 H124 0.9300 . ?
C125 C126 1.388(4) . ?
C125 C128 1.496(4) . ?
C126 C127 1.384(4) . ?
C126 H126 0.9300 . ?
C127 H127 0.9300 . ?
C129 C134 1.377(5) . ?
C129 C130 1.379(5) . ?
C130 C131 1.385(5) . ?
C130 H130 0.9300 . ?
C131 C132 1.361(7) . ?
C131 H131 0.9300 . ?
C132 C133 1.364(7) . ?
C132 H132 0.9300 . ?
C133 C134 1.393(5) . ?
C133 H133 0.9300 . ?
C134 H134 0.9300 . ?
C135 C140 1.388(5) . ?
C135 C136 1.394(5) . ?
C136 C137 1.385(5) . ?
C136 H136 0.9300 . ?
C137 C138 1.361(7) . ?
C137 H137 0.9300 . ?
C138 C139 1.368(7) . ?
C138 H138 0.9300 . ?
C139 C140 1.390(5) . ?
C139 H139 0.9300 . ?
C140 H140 0.9300 . ?
C141 C142 1.493(4) . ?
C142 C143 1.379(4) . ?
C142 C147 1.384(4) . ?
C143 C144 1.380(4) . ?
C143 H143 0.9300 . ?
C144 C145 1.383(4) . ?
C144 H144 0.9300 . ?
C145 C146 1.391(4) . ?
C145 C148 1.492(4) . ?
C146 C147 1.379(4) . ?
C146 H146 0.9300 . ?
C147 H147 0.9300 . ?
C148 C149 1.352(4) . ?
C148 C162 1.489(4) . ?
C149 C150 1.488(4) . ?
C149 C156 1.495(4) . ?
C150 C155 1.359(5) . ?
C150 C151 1.384(5) . ?
C151 C152 1.388(6) . ?
C151 H151 0.9300 . ?
C152 C153 1.334(8) . ?
C152 H152 0.9300 . ?
C153 C154 1.367(8) . ?
C153 H153 0.9300 . ?
C154 C155 1.400(6) . ?
C154 H154 0.9300 . ?
C155 H155 0.9300 . ?
C156 C157 1.377(5) . ?
C156 C161 1.388(5) . ?
C157 C158 1.395(6) . ?
C157 H157 0.9300 . ?
C158 C159 1.353(8) . ?
C158 H158 0.9300 . ?
C159 C160 1.358(8) . ?
C159 H159 0.9300 . ?
C160 C161 1.387(6) . ?
C160 H160 0.9300 . ?
C161 H161 0.9300 . ?
C162 C163 1.378(4) . ?
C162 C167 1.389(4) . ?
C163 C164 1.380(4) . ?
C163 H163 0.9300 . ?
C164 C165 1.373(4) . ?
C164 H164 0.9300 . ?
C165 C166 1.385(4) . ?
C165 C168 1.501(4) . ?
C166 C167 1.380(4) . ?
C166 H166 0.9300 . ?
C167 H167 0.9300 . ?
O26 C169 1.233(4) . ?
N1 C169 1.335(5) . ?
N1 C171 1.454(6) . ?
N1 C172 1.462(5) . ?
C169 C170 1.523(5) . ?
C170 H17A 0.9600 . ?
C170 H17B 0.9600 . ?
C170 H17C 0.9600 . ?
C171 H17D 0.9600 . ?
C171 H17E 0.9600 . ?
C171 H17F 0.9600 . ?
C172 H17G 0.9600 . ?
C172 H17H 0.9600 . ?
C172 H17I 0.9600 . ?
O27 C17A 1.236(7) . ?
O27 C173 1.238(6) . ?
N2 C173 1.356(7) . ?
N2 C175 1.448(9) . ?
N2 C176 1.463(9) . ?
C173 C174 1.560(9) . ?
C174 H17J 0.9600 . ?
C174 H17K 0.9600 . ?
C174 H17L 0.9600 . ?
C175 H17M 0.9600 . ?
C175 H17N 0.9600 . ?
C175 H17O 0.9600 . ?
C176 H17P 0.9600 . ?
C176 H17Q 0.9600 . ?
C176 H17R 0.9600 . ?
N2B C17A 1.368(8) . ?
N2B C17C 1.454(9) . ?
N2B C17D 1.462(9) . ?
C17A C17B 1.552(9) . ?
C17B H17S 0.9600 . ?
C17B H17T 0.9600 . ?
C17B H17U 0.9600 . ?
C17C H17V 0.9600 . ?
C17C H17W 0.9600 . ?
C17C H17X 0.9600 . ?
C17D H17Y 0.9600 . ?
C17D H17Z 0.9600 . ?
C17D H18A 0.9600 . ?
O28 C177 1.274(10) . ?
N3 C177 1.429(10) . ?
N3 C180 1.448(10) . ?
N3 C179 1.452(10) . ?
C177 C178 1.531(10) . ?
C178 C179 2.05(5) . ?
C178 H18B 0.9600 . ?
C178 H18C 0.9600 . ?
C178 H18D 0.9600 . ?
C179 H18E 0.9600 . ?
C179 H18F 0.9600 . ?
C179 H18G 0.9600 . ?
C180 H18H 0.9600 . ?
C180 H18I 0.9600 . ?
C180 H18J 0.9600 . ?
O28B C17E 1.258(8) . ?
N3B C17E 1.372(8) . ?
N3B C17H 1.442(8) . ?
N3B C17G 1.453(8) . ?
C17E C17F 1.554(9) . ?
C17F H18K 0.9600 . ?
C17F H18L 0.9600 . ?
C17F H18M 0.9600 . ?
C17G H18N 0.9600 . ?
C17G H18O 0.9600 . ?
C17G H18P 0.9600 . ?
C17H H18Q 0.9600 . ?
C17H H18R 0.9600 . ?
C17H H18S 0.9600 . ?
O29 C181 1.280(5) . ?
N4 C181 1.328(5) . ?
N4 C184 1.453(5) . ?
N4 C183 1.469(6) . ?
C181 C182 1.515(5) . ?
C182 H18T 0.9600 . ?
C182 H18U 0.9600 . ?
C182 H18V 0.9600 . ?
C183 H18W 0.9600 . ?
C183 H18X 0.9600 . ?
C183 H18Y 0.9600 . ?
C184 H18Z 0.9600 . ?
C184 H19A 0.9600 . ?
C184 H19B 0.9600 . ?
O30 C185 1.265(5) . ?
N5 C185 1.330(6) . ?
N5 C187 1.459(5) . ?
N5 C188 1.473(5) . ?
C185 C186 1.499(6) . ?
C186 H19C 0.9600 . ?
C186 H19D 0.9600 . ?
C186 H19E 0.9600 . ?
C187 H19F 0.9600 . ?
C187 H19G 0.9600 . ?
C187 H19H 0.9600 . ?
C188 H19I 0.9600 . ?
C188 H19J 0.9600 . ?
C188 H19K 0.9600 . ?
O31 C189 1.268(8) . ?
N6 C189 1.398(9) . ?
N6 C191 1.441(9) . ?
N6 C192 1.444(9) . ?
C189 C190 1.541(9) . ?
C190 H19L 0.9600 . ?
C190 H19M 0.9600 . ?
C190 H19N 0.9600 . ?
C191 H19O 0.9600 . ?
C191 H19P 0.9600 . ?
C191 H19Q 0.9600 . ?
C192 H19R 0.9600 . ?
C192 H19S 0.9600 . ?
C192 H19T 0.9600 . ?
O31B C18A 1.267(9) . ?
N6B C18A 1.416(9) . ?
N6B C18C 1.431(9) . ?
N6B C18D 1.456(9) . ?
C18A C18B 1.540(10) . ?
C18B H19U 0.9600 . ?
C18B H19V 0.9600 . ?
C18B H19W 0.9600 . ?
C18C H19X 0.9600 . ?
C18C H19Y 0.9600 . ?
C18C H19Z 0.9600 . ?
C18D H20K 0.9600 . ?
C18D H20L 0.9600 . ?
C18D H29M 0.9600 . ?
O32 C193 1.253(6) . ?
N7 C193 1.365(6) . ?
N7 C196 1.441(6) . ?
N7 C195 1.443(6) . ?
C193 C194 1.501(6) . ?
C194 H20D 0.9600 . ?
C194 H20E 0.9600 . ?
C194 H20F 0.9600 . ?
C195 H20G 0.9600 . ?
C195 H20H 0.9600 . ?
C195 H20I 0.9600 . ?
C196 H21D 0.9600 . ?
C196 H21E 0.9600 . ?
C196 H21F 0.9600 . ?
O33 C197 1.279(6) . ?
N8 C197 1.285(6) . ?
N8 C200 1.455(6) . ?
N8 C199 1.492(7) . ?
C197 C198 1.524(7) . ?
C198 H21N 0.9600 . ?
C198 H21P 0.9600 . ?
C198 H21O 0.9600 . ?
C199 H22D 0.9600 . ?
C199 H22E 0.9600 . ?
C199 H22F 0.9600 . ?
C200 H22G 0.9600 . ?
C200 H22H 0.9600 . ?
C200 H22I 0.9600 . ?
O34 C201 1.216(6) . ?
N9 C201 1.326(7) . ?
N9 C204 1.418(7) . ?
N9 C203 1.423(7) . ?
C201 C202 1.493(7) . ?
C202 H23D 0.9600 . ?
C202 H23E 0.9600 . ?
C202 H23F 0.9600 . ?
C203 H24G 0.9600 . ?
C203 H24H 0.9600 . ?
C203 H24I 0.9600 . ?
C204 H25J 0.9600 . ?
C204 H25K 0.9600 . ?
C204 H25L 0.9600 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy3 O1 C1 O2 13.4(5) 4_576 . . . ?
Dy3 O1 C1 C2 -165.8(2) 4_576 . . . ?
Dy1 O2 C1 O1 1.2(6) . . . . ?
Dy1 O2 C1 C2 -179.5(2) . . . . ?
O1 C1 C2 C3 -168.4(3) . . . . ?
O2 C1 C2 C3 12.3(4) . . . . ?
O1 C1 C2 C7 10.7(4) . . . . ?
O2 C1 C2 C7 -168.6(3) . . . . ?
C7 C2 C3 C4 -0.2(5) . . . . ?
C1 C2 C3 C4 178.9(3) . . . . ?
C2 C3 C4 C5 1.1(5) . . . . ?
C3 C4 C5 C6 -0.7(5) . . . . ?
C3 C4 C5 C8 -176.1(3) . . . . ?
C4 C5 C6 C7 -0.5(5) . . . . ?
C8 C5 C6 C7 174.9(3) . . . . ?
C5 C6 C7 C2 1.4(5) . . . . ?
C3 C2 C7 C6 -1.0(5) . . . . ?
C1 C2 C7 C6 179.9(3) . . . . ?
C6 C5 C8 C16 56.0(4) . . . . ?
C4 C5 C8 C16 -128.7(3) . . . . ?
C6 C5 C8 C9 -122.2(3) . . . . ?
C4 C5 C8 C9 53.1(4) . . . . ?
C16 C8 C9 C10 50.1(4) . . . . ?
C5 C8 C9 C10 -131.7(3) . . . . ?
C16 C8 C9 C14 -133.6(3) . . . . ?
C5 C8 C9 C14 44.6(4) . . . . ?
C14 C9 C10 C11 2.1(5) . . . . ?
C8 C9 C10 C11 178.6(3) . . . . ?
C9 C10 C11 C12 -0.5(5) . . . . ?
C10 C11 C12 C13 -0.7(5) . . . . ?
C10 C11 C12 C15 -178.9(3) . . . . ?
C11 C12 C13 C14 0.3(5) . . . . ?
C15 C12 C13 C14 178.4(3) . . . . ?
C12 C13 C14 C9 1.4(5) . . . . ?
C10 C9 C14 C13 -2.6(5) . . . . ?
C8 C9 C14 C13 -179.1(3) . . . . ?
Dy4 O3 C15 O4 5.5(3) 1_556 . . . ?
Dy4 O3 C15 C12 -173.4(2) 1_556 . . . ?
Dy4 O4 C15 O3 -6.4(3) 1_556 . . . ?
Dy4 O4 C15 C12 172.6(2) 1_556 . . . ?
C11 C12 C15 O3 170.6(3) . . . . ?
C13 C12 C15 O3 -7.5(4) . . . . ?
C11 C12 C15 O4 -8.4(4) . . . . ?
C13 C12 C15 O4 173.6(3) . . . . ?
C11 C12 C15 Dy4 26.2(12) . . . 1_556 ?
C13 C12 C15 Dy4 -151.9(10) . . . 1_556 ?
C9 C8 C16 C23 -170.6(3) . . . . ?
C5 C8 C16 C23 11.4(5) . . . . ?
C9 C8 C16 C17 11.5(5) . . . . ?
C5 C8 C16 C17 -166.6(3) . . . . ?
C8 C16 C17 C22 52.1(5) . . . . ?
C23 C16 C17 C22 -126.0(3) . . . . ?
C8 C16 C17 C18 -128.1(3) . . . . ?
C23 C16 C17 C18 53.8(4) . . . . ?
C22 C17 C18 C19 -2.3(5) . . . . ?
C16 C17 C18 C19 177.9(3) . . . . ?
C17 C18 C19 C20 0.8(7) . . . . ?
C18 C19 C20 C21 0.8(8) . . . . ?
C19 C20 C21 C22 -1.0(9) . . . . ?
C20 C21 C22 C17 -0.5(8) . . . . ?
C18 C17 C22 C21 2.1(6) . . . . ?
C16 C17 C22 C21 -178.1(4) . . . . ?
C8 C16 C23 C28 44.2(5) . . . . ?
C17 C16 C23 C28 -137.7(4) . . . . ?
C8 C16 C23 C24 -138.0(4) . . . . ?
C17 C16 C23 C24 40.1(5) . . . . ?
C28 C23 C24 C25 -0.4(7) . . . . ?
C16 C23 C24 C25 -178.3(4) . . . . ?
C23 C24 C25 C26 -0.6(9) . . . . ?
C24 C25 C26 C27 0.8(10) . . . . ?
C25 C26 C27 C28 -0.1(10) . . . . ?
C24 C23 C28 C27 1.1(7) . . . . ?
C16 C23 C28 C27 178.9(4) . . . . ?
C26 C27 C28 C23 -0.9(9) . . . . ?
Dy1 O5 C29 O6 -3.7(4) . . . . ?
Dy1 O5 C29 C30 177.26(19) . . . . ?
O5 C29 C30 C31 178.3(3) . . . . ?
O6 C29 C30 C31 -0.8(4) . . . . ?
O5 C29 C30 C35 -2.1(4) . . . . ?
O6 C29 C30 C35 178.8(3) . . . . ?
C35 C30 C31 C32 0.9(5) . . . . ?
C29 C30 C31 C32 -179.5(3) . . . . ?
C30 C31 C32 C33 -1.1(5) . . . . ?
C31 C32 C33 C34 -0.1(5) . . . . ?
C31 C32 C33 C36 -179.8(3) . . . . ?
C32 C33 C34 C35 1.5(4) . . . . ?
C36 C33 C34 C35 -178.8(3) . . . . ?
C33 C34 C35 C30 -1.7(5) . . . . ?
C31 C30 C35 C34 0.5(5) . . . . ?
C29 C30 C35 C34 -179.1(3) . . . . ?
C32 C33 C36 C37 -65.1(4) . . . . ?
C34 C33 C36 C37 115.2(3) . . . . ?
C32 C33 C36 C50 117.5(3) . . . . ?
C34 C33 C36 C50 -62.2(3) . . . . ?
C33 C36 C37 C44 177.2(3) . . . . ?
C50 C36 C37 C44 -5.8(5) . . . . ?
C33 C36 C37 C38 -2.9(4) . . . . ?
C50 C36 C37 C38 174.1(3) . . . . ?
C36 C37 C38 C43 -57.3(4) . . . . ?
C44 C37 C38 C43 122.6(3) . . . . ?
C36 C37 C38 C39 125.3(3) . . . . ?
C44 C37 C38 C39 -54.9(4) . . . . ?
C43 C38 C39 C40 1.7(5) . . . . ?
C37 C38 C39 C40 179.2(3) . . . . ?
C38 C39 C40 C41 -0.9(6) . . . . ?
C39 C40 C41 C42 -0.1(7) . . . . ?
C40 C41 C42 C43 0.2(8) . . . . ?
C39 C38 C43 C42 -1.6(5) . . . . ?
C37 C38 C43 C42 -179.1(3) . . . . ?
C41 C42 C43 C38 0.6(7) . . . . ?
C36 C37 C44 C49 -54.9(4) . . . . ?
C38 C37 C44 C49 125.3(3) . . . . ?
C36 C37 C44 C45 127.4(3) . . . . ?
C38 C37 C44 C45 -52.4(4) . . . . ?
C49 C44 C45 C46 1.3(5) . . . . ?
C37 C44 C45 C46 179.2(3) . . . . ?
C44 C45 C46 C47 -2.0(6) . . . . ?
C45 C46 C47 C48 1.5(7) . . . . ?
C46 C47 C48 C49 -0.4(8) . . . . ?
C45 C44 C49 C48 -0.2(6) . . . . ?
C37 C44 C49 C48 -178.0(4) . . . . ?
C47 C48 C49 C44 -0.3(7) . . . . ?
C37 C36 C50 C55 130.4(3) . . . . ?
C33 C36 C50 C55 -52.4(3) . . . . ?
C37 C36 C50 C51 -54.9(4) . . . . ?
C33 C36 C50 C51 122.3(3) . . . . ?
C55 C50 C51 C52 3.5(4) . . . . ?
C36 C50 C51 C52 -171.4(3) . . . . ?
C50 C51 C52 C53 -2.1(5) . . . . ?
C51 C52 C53 C54 -1.8(4) . . . . ?
C51 C52 C53 C56 174.3(3) . . . . ?
C52 C53 C54 C55 4.1(4) . . . . ?
C56 C53 C54 C55 -172.0(2) . . . . ?
C51 C50 C55 C54 -1.2(4) . . . . ?
C36 C50 C55 C54 173.8(3) . . . . ?
C53 C54 C55 C50 -2.6(4) . . . . ?
Dy4 O7 C56 O8 7.0(10) . . . . ?
Dy4 O7 C56 C53 -171.7(7) . . . . ?
Dy3 O8 C56 O7 102.2(5) . . . . ?
Dy3 O8 C56 C53 -79.0(5) . . . . ?
C54 C53 C56 O7 155.5(3) . . . . ?
C52 C53 C56 O7 -20.5(4) . . . . ?
C54 C53 C56 O8 -23.3(4) . . . . ?
C52 C53 C56 O8 160.6(3) . . . . ?
Dy1 O9 C57 O10 11.9(5) . . . . ?
Dy1 O9 C57 C58 -169.5(2) . . . . ?
Dy2 O10 C57 O9 19.9(7) . . . . ?
Dy2 O10 C57 C58 -158.7(4) . . . . ?
O9 C57 C58 C63 -13.1(4) . . . . ?
O10 C57 C58 C63 165.7(3) . . . . ?
O9 C57 C58 C59 166.4(3) . . . . ?
O10 C57 C58 C59 -14.9(4) . . . . ?
C63 C58 C59 C60 0.4(5) . . . . ?
C57 C58 C59 C60 -179.1(3) . . . . ?
C58 C59 C60 C61 -2.2(6) . . . . ?
C59 C60 C61 C62 2.1(5) . . . . ?
C59 C60 C61 C64 179.5(3) . . . . ?
C60 C61 C62 C63 -0.4(5) . . . . ?
C64 C61 C62 C63 -177.7(3) . . . . ?
C59 C58 C63 C62 1.4(5) . . . . ?
C57 C58 C63 C62 -179.2(3) . . . . ?
C61 C62 C63 C58 -1.4(5) . . . . ?
C60 C61 C64 C65 124.1(3) . . . . ?
C62 C61 C64 C65 -58.6(4) . . . . ?
C60 C61 C64 C78 -51.1(4) . . . . ?
C62 C61 C64 C78 126.1(3) . . . . ?
C78 C64 C65 C66 168.2(3) . . . . ?
C61 C64 C65 C66 -6.4(5) . . . . ?
C78 C64 C65 C72 -9.5(5) . . . . ?
C61 C64 C65 C72 175.9(3) . . . . ?
C64 C65 C66 C71 -55.7(5) . . . . ?
C72 C65 C66 C71 122.2(4) . . . . ?
C64 C65 C66 C67 126.7(4) . . . . ?
C72 C65 C66 C67 -55.4(4) . . . . ?
C71 C66 C67 C68 1.6(6) . . . . ?
C65 C66 C67 C68 179.2(4) . . . . ?
C66 C67 C68 C69 -0.2(7) . . . . ?
C67 C68 C69 C70 -1.4(8) . . . . ?
C68 C69 C70 C71 1.5(8) . . . . ?
C67 C66 C71 C70 -1.4(6) . . . . ?
C65 C66 C71 C70 -179.0(4) . . . . ?
C69 C70 C71 C66 -0.1(7) . . . . ?
C64 C65 C72 C77 -43.3(5) . . . . ?
C66 C65 C72 C77 138.9(4) . . . . ?
C64 C65 C72 C73 139.1(4) . . . . ?
C66 C65 C72 C73 -38.7(5) . . . . ?
C77 C72 C73 C74 0.3(7) . . . . ?
C65 C72 C73 C74 178.0(5) . . . . ?
C72 C73 C74 C75 -0.1(9) . . . . ?
C73 C74 C75 C76 0.0(10) . . . . ?
C74 C75 C76 C77 -0.1(10) . . . . ?
C73 C72 C77 C76 -0.5(6) . . . . ?
C65 C72 C77 C76 -178.1(4) . . . . ?
C75 C76 C77 C72 0.3(8) . . . . ?
C65 C64 C78 C83 -61.6(4) . . . . ?
C61 C64 C78 C83 113.5(3) . . . . ?
C65 C64 C78 C79 126.8(3) . . . . ?
C61 C64 C78 C79 -58.1(4) . . . . ?
C83 C78 C79 C81 -1.1(5) . . . . ?
C64 C78 C79 C81 170.7(3) . . . . ?
C78 C79 C81 C82 -1.2(5) . . . . ?
C83 C80 C82 C81 -1.4(4) . . . . ?
C83 C80 C82 C84 176.7(3) . . . . ?
C79 C81 C82 C80 2.5(5) . . . . ?
C79 C81 C82 C84 -175.6(3) . . . . ?
C82 C80 C83 C78 -1.0(5) . . . . ?
C79 C78 C83 C80 2.3(4) . . . . ?
C64 C78 C83 C80 -169.6(3) . . . . ?
Dy2 O11 C84 O12 -46.7(5) 4_566 . . . ?
Dy2 O11 C84 C82 135.9(3) 4_566 . . . ?
Dy4 O12 C84 O11 13.5(5) 1_556 . . . ?
Dy4 O12 C84 C82 -169.2(2) 1_556 . . . ?
C80 C82 C84 O11 -13.3(4) . . . . ?
C81 C82 C84 O11 164.7(3) . . . . ?
C80 C82 C84 O12 169.2(3) . . . . ?
C81 C82 C84 O12 -12.8(4) . . . . ?
Dy2 O14 C85 O13 -54.2(6) . . . . ?
Dy2 O14 C85 C86 126.6(4) . . . . ?
Dy1 O13 C85 O14 -27.4(4) . . . . ?
Dy1 O13 C85 C86 151.73(19) . . . . ?
O14 C85 C86 C91 18.9(4) . . . . ?
O13 C85 C86 C91 -160.4(3) . . . . ?
O14 C85 C86 C87 -164.7(3) . . . . ?
O13 C85 C86 C87 16.0(4) . . . . ?
C91 C86 C87 C88 0.7(4) . . . . ?
C85 C86 C87 C88 -175.7(3) . . . . ?
C86 C87 C88 C89 1.1(4) . . . . ?
C87 C88 C89 C90 -1.6(4) . . . . ?
C87 C88 C89 C92 174.9(3) . . . . ?
C88 C89 C90 C91 0.5(5) . . . . ?
C92 C89 C90 C91 -176.0(3) . . . . ?
C89 C90 C91 C86 1.2(5) . . . . ?
C87 C86 C91 C90 -1.8(4) . . . . ?
C85 C86 C91 C90 174.7(3) . . . . ?
C90 C89 C92 C93 -131.4(3) . . . . ?
C88 C89 C92 C93 52.1(4) . . . . ?
C90 C89 C92 C94 47.3(4) . . . . ?
C88 C89 C92 C94 -129.2(3) . . . . ?
C94 C92 C93 C101 10.8(5) . . . . ?
C89 C92 C93 C101 -170.7(3) . . . . ?
C94 C92 C93 C107 -170.5(3) . . . . ?
C89 C92 C93 C107 8.0(5) . . . . ?
C93 C92 C94 C95 59.0(4) . . . . ?
C89 C92 C94 C95 -119.6(3) . . . . ?
C93 C92 C94 C99 -125.8(4) . . . . ?
C89 C92 C94 C99 55.6(4) . . . . ?
C99 C94 C95 C96 -0.5(5) . . . . ?
C92 C94 C95 C96 174.8(3) . . . . ?
C94 C95 C96 C97 1.4(5) . . . . ?
C95 C96 C97 C98 -0.3(5) . . . . ?
C95 C96 C97 C100 -178.4(3) . . . . ?
C96 C97 C98 C99 -1.6(5) . . . . ?
C100 C97 C98 C99 176.6(3) . . . . ?
C97 C98 C99 C94 2.5(6) . . . . ?
C95 C94 C99 C98 -1.4(5) . . . . ?
C92 C94 C99 C98 -176.7(3) . . . . ?
Dy4 O15 C100 O16 7.7(4) . . . . ?
Dy4 O15 C100 C97 -170.04(19) . . . . ?
C96 C97 C100 O15 -170.6(3) . . . . ?
C98 C97 C100 O15 11.3(5) . . . . ?
C96 C97 C100 O16 11.5(4) . . . . ?
C98 C97 C100 O16 -166.6(3) . . . . ?
C92 C93 C101 C106 52.2(4) . . . . ?
C107 C93 C101 C106 -126.5(3) . . . . ?
C92 C93 C101 C102 -130.3(3) . . . . ?
C107 C93 C101 C102 51.0(4) . . . . ?
C106 C101 C102 C103 -0.4(5) . . . . ?
C93 C101 C102 C103 -178.0(3) . . . . ?
C101 C102 C103 C104 1.0(6) . . . . ?
C102 C103 C104 C105 -1.2(7) . . . . ?
C103 C104 C105 C106 0.9(7) . . . . ?
C102 C101 C106 C105 0.0(5) . . . . ?
C93 C101 C106 C105 177.6(3) . . . . ?
C104 C105 C106 C101 -0.3(6) . . . . ?
C92 C93 C107 C112 61.3(4) . . . . ?
C101 C93 C107 C112 -119.9(3) . . . . ?
C92 C93 C107 C108 -119.1(3) . . . . ?
C101 C93 C107 C108 59.7(4) . . . . ?
C112 C107 C108 C109 -2.4(5) . . . . ?
C93 C107 C108 C109 178.0(3) . . . . ?
C107 C108 C109 C110 2.4(6) . . . . ?
C108 C109 C110 C111 -1.2(7) . . . . ?
C109 C110 C111 C112 0.1(7) . . . . ?
C108 C107 C112 C111 1.2(5) . . . . ?
C93 C107 C112 C111 -179.1(3) . . . . ?
C110 C111 C112 C107 -0.2(7) . . . . ?
Dy4 O18 C113 O17 103.5(6) . . . . ?
Dy4 O18 C113 C114 -75.8(6) . . . . ?
Dy2 O17 C113 O18 -12.3(3) 4_565 . . . ?
Dy2 O17 C113 C114 167.05(17) 4_565 . . . ?
O18 C113 C114 C115 161.1(3) . . . . ?
O17 C113 C114 C115 -18.2(4) . . . . ?
O18 C113 C114 C119 -15.8(4) . . . . ?
O17 C113 C114 C119 164.9(3) . . . . ?
C119 C114 C115 C116 2.3(5) . . . . ?
C113 C114 C115 C116 -174.7(3) . . . . ?
C114 C115 C116 C117 -0.8(5) . . . . ?
C115 C116 C117 C118 -1.2(5) . . . . ?
C115 C116 C117 C120 174.0(3) . . . . ?
C116 C117 C118 C119 1.7(4) . . . . ?
C120 C117 C118 C119 -173.4(3) . . . . ?
C117 C118 C119 C114 -0.3(4) . . . . ?
C115 C114 C119 C118 -1.7(4) . . . . ?
C113 C114 C119 C118 175.2(2) . . . . ?
C118 C117 C120 C121 -39.1(4) . . . . ?
C116 C117 C120 C121 146.0(3) . . . . ?
C118 C117 C120 C122 139.2(3) . . . . ?
C116 C117 C120 C122 -35.8(4) . . . . ?
C117 C120 C121 C129 -8.9(5) . . . . ?
C122 C120 C121 C129 172.9(3) . . . . ?
C117 C120 C121 C135 170.0(3) . . . . ?
C122 C120 C121 C135 -8.1(4) . . . . ?
C121 C120 C122 C123 -52.8(4) . . . . ?
C117 C120 C122 C123 128.9(3) . . . . ?
C121 C120 C122 C127 128.2(3) . . . . ?
C117 C120 C122 C127 -50.1(4) . . . . ?
C127 C122 C123 C124 -1.1(4) . . . . ?
C120 C122 C123 C124 179.9(3) . . . . ?
C122 C123 C124 C125 3.0(4) . . . . ?
C123 C124 C125 C126 -2.9(4) . . . . ?
C123 C124 C125 C128 173.0(3) . . . . ?
C124 C125 C126 C127 1.0(5) . . . . ?
C128 C125 C126 C127 -174.9(3) . . . . ?
C125 C126 C127 C122 0.9(5) . . . . ?
C123 C122 C127 C126 -0.9(5) . . . . ?
C120 C122 C127 C126 178.2(3) . . . . ?
Dy4 O20 C128 O19 7.7(3) 4_565 . . . ?
Dy4 O20 C128 C125 -168.4(2) 4_565 . . . ?
Dy4 O19 C128 O20 -7.9(3) 4_565 . . . ?
Dy4 O19 C128 C125 168.4(2) 4_565 . . . ?
C124 C125 C128 O20 20.7(4) . . . . ?
C126 C125 C128 O20 -163.5(3) . . . . ?
C124 C125 C128 O19 -155.6(3) . . . . ?
C126 C125 C128 O19 20.2(4) . . . . ?
C124 C125 C128 Dy4 -78.1(11) . . . 4_565 ?
C126 C125 C128 Dy4 97.8(11) . . . 4_565 ?
C120 C121 C129 C134 -60.0(4) . . . . ?
C135 C121 C129 C134 120.9(3) . . . . ?
C120 C121 C129 C130 121.2(3) . . . . ?
C135 C121 C129 C130 -57.8(4) . . . . ?
C134 C129 C130 C131 2.4(5) . . . . ?
C121 C129 C130 C131 -178.8(3) . . . . ?
C129 C130 C131 C132 -2.3(6) . . . . ?
C130 C131 C132 C133 0.1(7) . . . . ?
C131 C132 C133 C134 1.8(7) . . . . ?
C130 C129 C134 C133 -0.5(6) . . . . ?
C121 C129 C134 C133 -179.3(4) . . . . ?
C132 C133 C134 C129 -1.6(7) . . . . ?
C120 C121 C135 C140 -59.6(4) . . . . ?
C129 C121 C135 C140 119.4(3) . . . . ?
C120 C121 C135 C136 122.8(3) . . . . ?
C129 C121 C135 C136 -58.2(4) . . . . ?
C140 C135 C136 C137 1.3(5) . . . . ?
C121 C135 C136 C137 178.9(3) . . . . ?
C135 C136 C137 C138 -1.6(6) . . . . ?
C136 C137 C138 C139 0.8(7) . . . . ?
C137 C138 C139 C140 0.3(8) . . . . ?
C136 C135 C140 C139 -0.3(5) . . . . ?
C121 C135 C140 C139 -177.9(4) . . . . ?
C138 C139 C140 C135 -0.5(7) . . . . ?
Dy1 O22 C141 O21 12.8(10) 4_575 . . . ?
Dy1 O22 C141 C142 -165.6(6) 4_575 . . . ?
Dy3 O21 C141 O22 -3.3(5) . . . . ?
Dy3 O21 C141 C142 175.11(19) . . . . ?
O22 C141 C142 C143 162.0(3) . . . . ?
O21 C141 C142 C143 -16.5(5) . . . . ?
O22 C141 C142 C147 -14.3(5) . . . . ?
O21 C141 C142 C147 167.1(3) . . . . ?
C147 C142 C143 C144 3.6(6) . . . . ?
C141 C142 C143 C144 -172.8(3) . . . . ?
C142 C143 C144 C145 -2.2(6) . . . . ?
C143 C144 C145 C146 -1.0(6) . . . . ?
C143 C144 C145 C148 176.7(3) . . . . ?
C144 C145 C146 C147 2.7(5) . . . . ?
C148 C145 C146 C147 -175.0(3) . . . . ?
C145 C146 C147 C142 -1.3(5) . . . . ?
C143 C142 C147 C146 -1.9(5) . . . . ?
C141 C142 C147 C146 174.5(3) . . . . ?
C144 C145 C148 C149 124.4(4) . . . . ?
C146 C145 C148 C149 -58.0(4) . . . . ?
C144 C145 C148 C162 -54.2(4) . . . . ?
C146 C145 C148 C162 123.4(3) . . . . ?
C162 C148 C149 C150 171.9(3) . . . . ?
C145 C148 C149 C150 -6.5(5) . . . . ?
C162 C148 C149 C156 -8.0(5) . . . . ?
C145 C148 C149 C156 173.5(3) . . . . ?
C148 C149 C150 C155 -60.4(5) . . . . ?
C156 C149 C150 C155 119.6(4) . . . . ?
C148 C149 C150 C151 117.8(4) . . . . ?
C156 C149 C150 C151 -62.3(4) . . . . ?
C155 C150 C151 C152 1.1(6) . . . . ?
C149 C150 C151 C152 -177.1(4) . . . . ?
C150 C151 C152 C153 -1.4(8) . . . . ?
C151 C152 C153 C154 1.2(9) . . . . ?
C152 C153 C154 C155 -0.6(11) . . . . ?
C151 C150 C155 C154 -0.6(8) . . . . ?
C149 C150 C155 C154 177.6(5) . . . . ?
C153 C154 C155 C150 0.3(10) . . . . ?
C148 C149 C156 C157 -54.3(5) . . . . ?
C150 C149 C156 C157 125.8(4) . . . . ?
C148 C149 C156 C161 128.5(4) . . . . ?
C150 C149 C156 C161 -51.5(4) . . . . ?
C161 C156 C157 C158 -0.4(6) . . . . ?
C149 C156 C157 C158 -177.7(4) . . . . ?
C156 C157 C158 C159 0.0(8) . . . . ?
C157 C158 C159 C160 -0.6(8) . . . . ?
C158 C159 C160 C161 1.6(8) . . . . ?
C159 C160 C161 C156 -2.0(6) . . . . ?
C157 C156 C161 C160 1.3(5) . . . . ?
C149 C156 C161 C160 178.7(3) . . . . ?
C149 C148 C162 C163 -65.9(4) . . . . ?
C145 C148 C162 C163 112.8(3) . . . . ?
C149 C148 C162 C167 119.7(4) . . . . ?
C145 C148 C162 C167 -61.7(4) . . . . ?
C167 C162 C163 C164 1.7(5) . . . . ?
C148 C162 C163 C164 -172.9(3) . . . . ?
C162 C163 C164 C165 -2.5(6) . . . . ?
C163 C164 C165 C166 0.9(5) . . . . ?
C163 C164 C165 C168 176.8(3) . . . . ?
C164 C165 C166 C167 1.3(5) . . . . ?
C168 C165 C166 C167 -174.4(3) . . . . ?
C165 C166 C167 C162 -2.1(6) . . . . ?
C163 C162 C167 C166 0.5(5) . . . . ?
C148 C162 C167 C166 175.1(3) . . . . ?
Dy3 O23 C168 O24 -12.0(5) 4_576 . . . ?
Dy3 O23 C168 C165 167.8(2) 4_576 . . . ?
Dy1 O24 C168 O23 3.7(7) . . . . ?
Dy1 O24 C168 C165 -176.1(3) . . . . ?
C164 C165 C168 O23 177.0(3) . . . . ?
C166 C165 C168 O23 -7.3(5) . . . . ?
C164 C165 C168 O24 -3.2(4) . . . . ?
C166 C165 C168 O24 172.5(3) . . . . ?
Dy2 O26 C169 N1 -176.8(4) . . . . ?
Dy2 O26 C169 C170 3.7(8) . . . . ?
C171 N1 C169 O26 -2.2(6) . . . . ?
C172 N1 C169 O26 179.4(5) . . . . ?
C171 N1 C169 C170 177.4(4) . . . . ?
C172 N1 C169 C170 -1.1(7) . . . . ?
Dy3 O27 C173 N2 123.4(10) . . . . ?
Dy3 O27 C173 C174 -64.4(16) . . . . ?
C175 N2 C173 O27 -4.4(12) . . . . ?
C176 N2 C173 O27 179.5(12) . . . . ?
C175 N2 C173 C174 -177.4(11) . . . . ?
C176 N2 C173 C174 6.5(16) . . . . ?
Dy3 O27 C17A N2B -143.5(7) . . . . ?
Dy3 O27 C17A C17B 40.4(14) . . . . ?
C17C N2B C17A O27 4.3(16) . . . . ?
C17D N2B C17A O27 -177.1(15) . . . . ?
C17C N2B C17A C17B -179.2(13) . . . . ?
C17D N2B C17A C17B -0.5(19) . . . . ?
C180 N3 C177 O28 7(3) . . . . ?
C179 N3 C177 O28 -178(2) . . . . ?
C180 N3 C177 C178 -172(3) . . . . ?
C179 N3 C177 C178 4(2) . . . . ?
O28 C177 C178 C179 178.6(15) . . . . ?
N3 C177 C178 C179 -2.4(15) . . . . ?
C177 N3 C179 C178 -2.6(16) . . . . ?
C180 N3 C179 C178 173(3) . . . . ?
C17H N3B C17E O28B -179.9(3) . . . . ?
C17G N3B C17E O28B -0.3(3) . . . . ?
C17H N3B C17E C17F 0.0(4) . . . . ?
C17G N3B C17E C17F 179.6(4) . . . . ?
C184 N4 C181 O29 -176.9(5) . . . . ?
C183 N4 C181 O29 -1.5(7) . . . . ?
C184 N4 C181 C182 3.9(6) . . . . ?
C183 N4 C181 C182 179.3(5) . . . . ?
C187 N5 C185 O30 -176.9(4) . . . . ?
C188 N5 C185 O30 -1.1(7) . . . . ?
C187 N5 C185 C186 3.3(7) . . . . ?
C188 N5 C185 C186 179.1(4) . . . . ?
C191 N6 C189 O31 172.8(12) . . . . ?
C192 N6 C189 O31 0.0(17) . . . . ?
C191 N6 C189 C190 -8.0(19) . . . . ?
C192 N6 C189 C190 179.2(15) . . . . ?
C18C N6B C18A O31B 171.5(15) . . . . ?
C18D N6B C18A O31B 18(2) . . . . ?
C18C N6B C18A C18B -18(3) . . . . ?
C18D N6B C18A C18B -171(2) . . . . ?
C196 N7 C193 O32 -3.0(7) . . . . ?
C195 N7 C193 O32 176.6(5) . . . . ?
C196 N7 C193 C194 174.8(5) . . . . ?
C195 N7 C193 C194 -5.5(7) . . . . ?
C200 N8 C197 O33 -177.6(5) . . . . ?
C199 N8 C197 O33 2.4(8) . . . . ?
C200 N8 C197 C198 0.9(8) . . . . ?
C199 N8 C197 C198 -179.1(6) . . . . ?
C204 N9 C201 O34 -175.5(9) . . . . ?
C203 N9 C201 O34 1.1(14) . . . . ?
C204 N9 C201 C202 7.6(14) . . . . ?
C203 N9 C201 C202 -175.8(12) . . . . ?
