#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:16:49 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258843 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/54/7705434.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_7705434
loop_
_publ_author_name
'Zhang, Chengcheng'
'Ma, Xiufang'
'Cen, Peipei'
'Jin, Xiaoyong'
'Yang, Jinhui'
'Zhang, Yi-Quan'
'Ferrando-Soria, Jesús'
'Pardo, Emilio'
'Liu, Xiangyu'
_publ_section_title
;
 A series of lanthanide(III) metal-organic frameworks derived from a
 pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and
 luminescence properties.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14123
_journal_page_last               14132
_journal_paper_doi               10.1039/d0dt02736g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C65 H38 Dy3 N5 O21'
_chemical_formula_weight         1712.50
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2019-10-28 deposited with the CCDC.	2020-09-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.261(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.4564(8)
_cell_length_b                   27.544(2)
_cell_length_c                   11.5369(7)
_cell_measurement_reflns_used    5489
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5470
_cell_measurement_theta_min      2.7140
_cell_volume                     3570.4(4)
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0713
_diffrn_reflns_av_unetI/netI     0.0869
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            23110
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.348
_diffrn_reflns_theta_min         1.957
_exptl_absorpt_coefficient_mu    3.179
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_description       strip
_exptl_crystal_F_000             1658
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_exptl_transmission_factor_max   0.853
_exptl_transmission_factor_min   0.795
_refine_diff_density_max         2.822
_refine_diff_density_min         -5.681
_refine_diff_density_rms         0.259
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.192
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     560
_refine_ls_number_reflns         6688
_refine_ls_number_restraints     441
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.1159
_refine_ls_R_factor_gt           0.1016
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0502P)²+131.1900P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2222
_refine_ls_wR_factor_ref         0.2296
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5630
_reflns_number_total             6688
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02736g16.cif
_cod_data_source_block           p21m_a_sq
_cod_depositor_comments
'Adding full bibliography for 7705434--7705437.cif.'
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7705434
_shelx_shelxl_version_number     2018/1
_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.
;
_shelx_estimated_absorpt_t_min   0.630
_shelx_estimated_absorpt_t_max   0.857
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
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 0.77132(9) 0.750000 0.82215(8) 0.0237(3) Uani 1 2 d S T P A .
Dy2 Dy 0.59272(7) 0.62642(3) 0.87195(6) 0.0265(2) Uani 1 1 d . . . . .
O1 O 0.7162(11) 0.7002(4) 0.6565(9) 0.039(3) Uani 1 1 d . . . . .
O2 O 0.6175(10) 0.6317(4) 0.6780(9) 0.029(2) Uani 1 1 d . . . . .
O3 O 0.6348(17) 0.6662(6) 0.0593(12) 0.074(5) Uani 1 1 d . . . . .
O4 O 0.6466(11) 0.5874(5) 0.0691(10) 0.046(3) Uani 1 1 d . . . . .
O6 O -0.0243(15) 0.750000 0.9255(15) 0.047(5) Uani 1 2 d S T P . .
O7 O -0.0600(16) 0.750000 0.7353(15) 0.075(8) Uani 1 2 d S T P . .
O8 O 0.3804(11) 0.6305(5) 0.7667(12) 0.054(4) Uani 1 1 d . . . . .
O9 O 0.4198(12) 0.6212(6) 0.9551(13) 0.063(4) Uani 1 1 d . U . . .
O10 O -0.2141(10) 0.5873(4) 0.8808(10) 0.037(3) Uani 1 1 d . . . . .
O11 O -0.2042(10) 0.6667(4) 0.8884(9) 0.035(3) Uani 1 1 d . . . . .
O12 O 0.7546(12) 0.750000 1.0265(12) 0.028(3) Uani 1 2 d S T P . .
H12B H 0.697950 0.730720 1.028789 0.034 Uiso 1 1 d R U . . .
N1 N 0.4589(12) 0.4574(5) 0.1990(11) 0.030(3) Uani 1 1 d . . . . .
C1 C 0.6645(15) 0.6611(7) 0.6208(14) 0.038(4) Uani 1 1 d . . . . .
C2 C 0.6574(17) 0.6501(7) 0.4919(15) 0.041(4) Uani 1 1 d . . . . .
C3 C 0.705(2) 0.6827(9) 0.422(2) 0.071(6) Uani 1 1 d . U . . .
H3 H 0.744111 0.711179 0.456353 0.085 Uiso 1 1 calc R U . . .
C4 C 0.696(2) 0.6741(9) 0.301(2) 0.067(6) Uani 1 1 d . U . . .
H4 H 0.726341 0.697460 0.253300 0.080 Uiso 1 1 calc R U . . .
C5 C 0.6449(18) 0.6322(7) 0.2497(15) 0.048(5) Uani 1 1 d . . . . .
C6 C 0.6000(14) 0.5978(7) 0.3184(14) 0.035(4) Uani 1 1 d . . . . .
C7 C 0.6068(15) 0.6078(6) 0.4386(14) 0.034(4) Uani 1 1 d . . . . .
H7 H 0.575567 0.584709 0.485672 0.041 Uiso 1 1 calc R U . . .
C8 C 0.6432(18) 0.6274(8) 0.1182(14) 0.046(5) Uani 1 1 d . . . . .
C9 C 0.5474(15) 0.5502(6) 0.2763(13) 0.031(4) Uani 1 1 d . . . . .
C10 C 0.5822(17) 0.5085(7) 0.3427(16) 0.044(4) Uani 1 1 d . . . . .
H10 H 0.636904 0.510591 0.415875 0.053 Uiso 1 1 calc R U . . .
C11 C 0.5371(15) 0.4648(6) 0.3017(14) 0.034(4) Uani 1 1 d . . . . .
H11 H 0.562631 0.437133 0.348924 0.041 Uiso 1 1 calc R U . . .
C12 C 0.4266(13) 0.4980(6) 0.1376(14) 0.030(4) Uani 1 1 d . . . . .
H12 H 0.372717 0.494630 0.064125 0.036 Uiso 1 1 calc R U . . .
C13 C 0.4639(14) 0.5433(6) 0.1709(13) 0.031(4) Uani 1 1 d . . . . .
H13 H 0.433824 0.570415 0.123319 0.037 Uiso 1 1 calc R U . . .
C14 C 0.5163(19) 0.750000 0.8308(17) 0.024(4) Uani 1 2 d S TU P A .
C15 C 0.3837(13) 0.750000 0.8228(16) 0.028(5) Uani 1 2 d DS T P . .
C18 C 0.1438(13) 0.750000 0.8298(17) 0.035(6) Uani 1 2 d DS T P . .
C21 C 0.0133(19) 0.750000 0.8309(18) 0.027(5) Uani 1 2 d S T P . .
O5 O 0.5703(9) 0.7103(4) 0.8288(8) 0.030(2) Uani 1 1 d . . . . .
C16 C 0.3452(15) 0.7639(5) 0.9238(15) 0.028(6) Uani 0.5 1 d D U P A -1
H16 H 0.401668 0.773887 0.991268 0.033 Uiso 0.5 1 calc R U P A -1
C17 C 0.2261(15) 0.7635(6) 0.9281(15) 0.027(6) Uani 0.5 1 d D U P A -1
H17 H 0.200678 0.772428 0.998761 0.032 Uiso 0.5 1 calc R U P A -1
C19 C 0.1817(17) 0.7343(8) 0.7294(17) 0.045(6) Uani 0.5 1 d D U P A -1
H19 H 0.125444 0.723061 0.663215 0.054 Uiso 0.5 1 calc R U P A -1
C20 C 0.3013(17) 0.7351(7) 0.7253(16) 0.047(5) Uani 0.5 1 d D U P A -1
C23 C 0.413(2) 0.7444(9) 0.559(2) 0.058(5) Uani 0.5 1 d G U P A -1
H23 H 0.448107 0.772491 0.599136 0.069 Uiso 0.5 1 calc R U P A -1
C24 C 0.437(2) 0.7323(9) 0.449(2) 0.059(5) Uani 0.5 1 d G U P A -1
H24 H 0.488413 0.752128 0.413989 0.071 Uiso 0.5 1 calc R U P A -1
N3 N 0.385(2) 0.6912(9) 0.3902(17) 0.063(5) Uani 0.5 1 d G U P A -1
H3A H 0.400509 0.683586 0.320535 0.075 Uiso 0.5 1 calc R U P A -1
C25 C 0.310(2) 0.6623(8) 0.441(2) 0.062(5) Uani 0.5 1 d G U P A -1
H25 H 0.274709 0.634189 0.401148 0.074 Uiso 0.5 1 calc R U P A -1
C26 C 0.286(2) 0.6744(9) 0.551(2) 0.058(5) Uani 0.5 1 d G U P A -1
H26 H 0.234402 0.654552 0.586294 0.070 Uiso 0.5 1 calc R U P A -1
C27 C 0.337(2) 0.7154(10) 0.6101(17) 0.054(4) Uani 0.5 1 d G U P A -1
C28 C 0.3459(14) 0.6249(6) 0.8618(19) 0.041(5) Uani 1 1 d . . . . .
C29 C 0.2151(11) 0.6227(7) 0.8673(14) 0.050(5) Uani 1 1 d D . . . .
C32 C -0.0220(10) 0.6238(6) 0.8845(12) 0.039(4) Uani 1 1 d D . . . .
C35 C -0.1517(11) 0.6253(6) 0.8858(12) 0.023(3) Uani 1 1 d . . . . .
C30 C 0.1292(14) 0.6357(12) 0.7697(16) 0.041(5) Uani 0.564(10) 1 d D U P B 1
H30 H 0.151648 0.643681 0.697030 0.049 Uiso 0.564(10) 1 calc R U P B 1
C31 C 0.0111(14) 0.6369(12) 0.7793(16) 0.042(5) Uani 0.564(10) 1 d D U P B 1
H31 H -0.047865 0.646648 0.713673 0.050 Uiso 0.564(10) 1 calc R U P B 1
C33 C 0.0594(15) 0.5978(11) 0.965(2) 0.045(4) Uani 0.564(10) 1 d D U P B 1
C34 C 0.1779(14) 0.5981(11) 0.957(2) 0.045(4) Uani 0.564(10) 1 d D U P B 1
H34 H 0.234257 0.581196 1.014305 0.054 Uiso 0.564(10) 1 calc R U P B 1
C36 C 0.035(3) 0.5743(14) 1.076(3) 0.049(4) Uani 0.564(10) 1 d . U P B 1
C37 C 0.087(3) 0.5257(14) 1.107(3) 0.054(4) Uani 0.564(10) 1 d . U P B 1
H37 H 0.131316 0.507727 1.060025 0.065 Uiso 0.564(10) 1 calc R U P B 1
C38 C 0.062(3) 0.5102(15) 1.214(3) 0.056(5) Uani 0.564(10) 1 d . U P B 1
H38 H 0.103977 0.481421 1.242623 0.067 Uiso 0.564(10) 1 calc R U P B 1
N2 N -0.011(3) 0.5279(12) 1.287(3) 0.058(4) Uani 0.564(10) 1 d . U P B 1
C39 C -0.057(3) 0.5731(15) 1.243(3) 0.054(4) Uani 0.564(10) 1 d . U P B 1
H39 H -0.106207 0.588886 1.288288 0.065 Uiso 0.564(10) 1 calc R U P B 1
C40 C -0.041(3) 0.5973(16) 1.144(3) 0.052(4) Uani 0.564(10) 1 d . U P B 1
H40 H -0.077822 0.627714 1.122223 0.062 Uiso 0.564(10) 1 calc R U P B 1
C30A C 0.1291(16) 0.6083(16) 0.774(2) 0.043(5) Uani 0.436(10) 1 d D U P B 2
H30A H 0.151277 0.597231 0.703079 0.051 Uiso 0.436(10) 1 calc R U P B 2
C31A C 0.0109(15) 0.6099(16) 0.7814(19) 0.042(5) Uani 0.436(10) 1 d D U P B 2
H31A H -0.048351 0.601207 0.714950 0.050 Uiso 0.436(10) 1 calc R U P B 2
C33A C 0.0634(16) 0.6386(16) 0.9800(19) 0.044(4) Uani 0.436(10) 1 d D U P B 2
C34A C 0.1818(16) 0.6376(15) 0.9712(19) 0.044(4) Uani 0.436(10) 1 d D U P B 2
H34A H 0.241016 0.647085 1.036892 0.053 Uiso 0.436(10) 1 calc R U P B 2
C36A C 0.030(4) 0.6545(18) 1.110(4) 0.049(4) Uani 0.436(10) 1 d . U P B 2
C37A C -0.042(4) 0.630(2) 1.160(4) 0.051(4) Uani 0.436(10) 1 d . U P B 2
H37A H -0.082495 0.602527 1.120313 0.061 Uiso 0.436(10) 1 calc R U P B 2
C38A C -0.062(4) 0.6416(19) 1.268(4) 0.052(4) Uani 0.436(10) 1 d . U P B 2
H38A H -0.111727 0.620768 1.302837 0.063 Uiso 0.436(10) 1 calc R U P B 2
N2A N -0.016(3) 0.6804(16) 1.330(3) 0.055(5) Uani 0.436(10) 1 d . U P B 2
C39A C 0.051(4) 0.7066(19) 1.278(4) 0.054(5) Uani 0.436(10) 1 d . U P B 2
H39A H 0.082827 0.735460 1.316804 0.065 Uiso 0.436(10) 1 calc R U P B 2
C40A C 0.082(4) 0.6958(18) 1.164(4) 0.049(5) Uani 0.436(10) 1 d . U P B 2
H40A H 0.134220 0.715682 1.129589 0.059 Uiso 0.436(10) 1 calc R U P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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
O1 Dy1 O1 71.9(6) . 4_575 ?
O1 Dy1 O7 76.4(4) . 1_655 ?
O1 Dy1 O7 76.4(4) 4_575 1_655 ?
O1 Dy1 O12 137.9(3) . . ?
O1 Dy1 O12 137.9(3) 4_575 . ?
O7 Dy1 O12 130.5(5) 1_655 . ?
O1 Dy1 O6 119.1(4) . 1_655 ?
O1 Dy1 O6 119.1(4) 4_575 1_655 ?
O7 Dy1 O6 53.8(6) 1_655 1_655 ?
O12 Dy1 O6 76.7(5) . 1_655 ?
O1 Dy1 O11 144.3(4) . 4_675 ?
O1 Dy1 O11 72.4(4) 4_575 4_675 ?
O7 Dy1 O11 94.6(3) 1_655 4_675 ?
O12 Dy1 O11 73.5(3) . 4_675 ?
O6 Dy1 O11 78.6(3) 1_655 4_675 ?
O1 Dy1 O11 72.4(4) . 1_655 ?
O1 Dy1 O11 144.3(4) 4_575 1_655 ?
O7 Dy1 O11 94.6(3) 1_655 1_655 ?
O12 Dy1 O11 73.5(3) . 1_655 ?
O6 Dy1 O11 78.6(3) 1_655 1_655 ?
O11 Dy1 O11 143.3(5) 4_675 1_655 ?
O1 Dy1 O5 100.0(4) . 4_575 ?
O1 Dy1 O5 70.9(4) 4_575 4_575 ?
O7 Dy1 O5 146.4(4) 1_655 4_575 ?
O12 Dy1 O5 74.1(4) . 4_575 ?
O6 Dy1 O5 140.9(4) 1_655 4_575 ?
O11 Dy1 O5 68.6(4) 4_675 4_575 ?
O11 Dy1 O5 116.4(4) 1_655 4_575 ?
O1 Dy1 O5 70.9(4) . . ?
O1 Dy1 O5 100.0(4) 4_575 . ?
O7 Dy1 O5 146.4(4) 1_655 . ?
O12 Dy1 O5 74.1(4) . . ?
O6 Dy1 O5 140.9(4) 1_655 . ?
O11 Dy1 O5 116.4(4) 4_675 . ?
O11 Dy1 O5 68.6(4) 1_655 . ?
O5 Dy1 O5 50.5(5) 4_575 . ?
O1 Dy1 C21 98.0(5) . 1_655 ?
O1 Dy1 C21 98.0(5) 4_575 1_655 ?
O7 Dy1 C21 26.8(6) 1_655 1_655 ?
O12 Dy1 C21 103.7(5) . 1_655 ?
O6 Dy1 C21 27.0(6) 1_655 1_655 ?
O11 Dy1 C21 86.3(3) 4_675 1_655 ?
O11 Dy1 C21 86.3(3) 1_655 1_655 ?
O5 Dy1 C21 154.5(3) 4_575 1_655 ?
O5 Dy1 C21 154.5(3) . 1_655 ?
O1 Dy1 C14 85.2(4) . . ?
O1 Dy1 C14 85.2(4) 4_575 . ?
O7 Dy1 C14 157.1(6) 1_655 . ?
O12 Dy1 C14 72.3(5) . . ?
O6 Dy1 C14 149.1(5) 1_655 . ?
O11 Dy1 C14 92.5(3) 4_675 . ?
O11 Dy1 C14 92.5(3) 1_655 . ?
O5 Dy1 C14 25.2(2) 4_575 . ?
O5 Dy1 C14 25.2(2) . . ?
C21 Dy1 C14 176.1(6) 1_655 . ?
O2 Dy2 O5 76.4(4) . . ?
O2 Dy2 O9 131.7(5) . . ?
O5 Dy2 O9 94.6(4) . . ?
O2 Dy2 O3 143.6(4) . 1_556 ?
O5 Dy2 O3 74.7(5) . 1_556 ?
O9 Dy2 O3 72.4(6) . 1_556 ?
O2 Dy2 O10 77.7(4) . 1_655 ?
O5 Dy2 O10 119.9(4) . 1_655 ?
O9 Dy2 O10 141.1(4) . 1_655 ?
O3 Dy2 O10 98.2(6) 1_556 1_655 ?
O2 Dy2 O4 149.0(4) . 1_556 ?
O5 Dy2 O4 127.8(4) . 1_556 ?
O9 Dy2 O4 71.4(4) . 1_556 ?
O3 Dy2 O4 53.1(5) 1_556 1_556 ?
O10 Dy2 O4 73.1(4) 1_655 1_556 ?
O2 Dy2 N1 78.8(4) . 3_666 ?
O5 Dy2 N1 146.0(4) . 3_666 ?
O9 Dy2 N1 85.0(5) . 3_666 ?
O3 Dy2 N1 136.0(4) 1_556 3_666 ?
O10 Dy2 N1 76.1(4) 1_655 3_666 ?
O4 Dy2 N1 84.3(4) 1_556 3_666 ?
O2 Dy2 O8 79.6(4) . . ?
O5 Dy2 O8 78.4(4) . . ?
O9 Dy2 O8 52.2(5) . . ?
O3 Dy2 O8 115.1(5) 1_556 . ?
O10 Dy2 O8 145.8(4) 1_655 . ?
O4 Dy2 O8 120.6(4) 1_556 . ?
N1 Dy2 O8 74.6(5) 3_666 . ?
O2 Dy2 O11 76.2(4) . 1_655 ?
O5 Dy2 O11 69.6(4) . 1_655 ?
O9 Dy2 O11 145.0(5) . 1_655 ?
O3 Dy2 O11 73.3(5) 1_556 1_655 ?
O10 Dy2 O11 52.0(4) 1_655 1_655 ?
O4 Dy2 O11 93.5(4) 1_556 1_655 ?
N1 Dy2 O11 125.8(4) 3_666 1_655 ?
O8 Dy2 O11 143.5(4) . 1_655 ?
O2 Dy2 C8 160.9(5) . 1_556 ?
O5 Dy2 C8 101.4(5) . 1_556 ?
O9 Dy2 C8 67.1(5) . 1_556 ?
O3 Dy2 C8 26.8(5) 1_556 1_556 ?
O10 Dy2 C8 87.5(5) 1_655 1_556 ?
O4 Dy2 C8 26.5(5) 1_556 1_556 ?
N1 Dy2 C8 109.5(5) 3_666 1_556 ?
O8 Dy2 C8 118.9(5) . 1_556 ?
O11 Dy2 C8 85.2(4) 1_655 1_556 ?
O2 Dy2 C28 105.9(5) . . ?
O5 Dy2 C28 86.5(4) . . ?
O9 Dy2 C28 25.9(5) . . ?
O3 Dy2 C28 93.9(6) 1_556 . ?
O10 Dy2 C28 153.0(4) 1_655 . ?
O4 Dy2 C28 95.7(5) 1_556 . ?
N1 Dy2 C28 78.4(5) 3_666 . ?
O8 Dy2 C28 26.3(5) . . ?
O11 Dy2 C28 155.0(4) 1_655 . ?
C8 Dy2 C28 92.8(6) 1_556 . ?
O2 Dy2 C35 75.0(4) . 1_655 ?
O5 Dy2 C35 95.1(4) . 1_655 ?
O9 Dy2 C35 153.2(4) . 1_655 ?
O3 Dy2 C35 86.1(5) 1_556 1_655 ?
O10 Dy2 C35 25.6(4) 1_655 1_655 ?
O4 Dy2 C35 83.0(4) 1_556 1_655 ?
N1 Dy2 C35 100.5(4) 3_666 1_655 ?
O8 Dy2 C35 154.6(4) . 1_655 ?
O11 Dy2 C35 26.4(4) 1_655 1_655 ?
C8 Dy2 C35 86.4(5) 1_556 1_655 ?
C28 Dy2 C35 178.4(5) . 1_655 ?
C1 O1 Dy1 143.6(10) . . ?
C1 O2 Dy2 135.0(10) . . ?
C8 O3 Dy2 94.5(11) . 1_554 ?
C8 O4 Dy2 90.5(11) . 1_554 ?
C21 O6 Dy1 92.0(14) . 1_455 ?
C21 O7 Dy1 95.2(14) . 1_455 ?
C28 O8 Dy2 90.7(11) . . ?
C28 O9 Dy2 97.3(11) . . ?
C35 O10 Dy2 97.8(9) . 1_455 ?
C35 O11 Dy1 148.9(9) . 1_455 ?
C35 O11 Dy2 92.1(8) . 1_455 ?
Dy1 O11 Dy2 110.0(4) 1_455 1_455 ?
Dy1 O12 H12B 103.9 . . ?
Dy1 O12 H12B 103.9(2) . 4_575 ?
H12B O12 H12B 78.1 . 4_575 ?
C12 N1 C11 114.0(14) . . ?
C12 N1 Dy2 125.4(10) . 3_666 ?
C11 N1 Dy2 120.2(11) . 3_666 ?
O2 C1 O1 127.8(15) . . ?
O2 C1 C2 116.9(15) . . ?
O1 C1 C2 115.3(14) . . ?
C3 C2 C7 117.5(17) . . ?
C3 C2 C1 119.6(17) . . ?
C7 C2 C1 122.9(15) . . ?
C2 C3 C4 121(2) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C5 C4 C3 121(2) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 120.1(17) . . ?
C4 C5 C8 114.9(16) . . ?
C6 C5 C8 125.0(16) . . ?
C5 C6 C7 118.2(16) . . ?
C5 C6 C9 125.8(14) . . ?
C7 C6 C9 116.0(15) . . ?
C2 C7 C6 122.7(15) . . ?
C2 C7 H7 118.7 . . ?
C6 C7 H7 118.7 . . ?
O4 C8 O3 120.8(15) . . ?
O4 C8 C5 122.5(17) . . ?
O3 C8 C5 116.7(18) . . ?
O4 C8 Dy2 63.0(9) . 1_554 ?
O3 C8 Dy2 58.7(9) . 1_554 ?
C5 C8 Dy2 168.1(15) . 1_554 ?
C10 C9 C13 115.9(16) . . ?
C10 C9 C6 119.6(15) . . ?
C13 C9 C6 124.5(15) . . ?
C11 C10 C9 119.4(17) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
N1 C11 C10 125.5(17) . . ?
N1 C11 H11 117.2 . . ?
C10 C11 H11 117.3 . . ?
N1 C12 C13 125.6(15) . . ?
N1 C12 H12 117.2 . . ?
C13 C12 H12 117.2 . . ?
C12 C13 C9 119.7(16) . . ?
C12 C13 H13 120.2 . . ?
C9 C13 H13 120.2 . . ?
O5 C14 O5 121(2) 4_575 . ?
O5 C14 C15 119.5(10) 4_575 . ?
O5 C14 C15 119.5(10) . . ?
O5 C14 Dy1 60.3(10) 4_575 . ?
O5 C14 Dy1 60.3(10) . . ?
C15 C14 Dy1 174.7(13) . . ?
C16 C15 C20 119.3(11) . . ?
C16 C15 C14 115.7(14) . . ?
C20 C15 C14 124.9(14) . . ?
C17 C18 C19 119.8(11) . . ?
C17 C18 C21 121.2(15) . . ?
C19 C18 C21 118.9(15) . . ?
O7 C21 O6 119(2) . . ?
O7 C21 C18 119.6(19) . . ?
O6 C21 C18 121.5(19) . . ?
O7 C21 Dy1 57.9(12) . 1_455 ?
O6 C21 Dy1 61.0(12) . 1_455 ?
C18 C21 Dy1 177.5(14) . 1_455 ?
C14 O5 Dy2 151.3(11) . . ?
C14 O5 Dy1 94.5(11) . . ?
Dy2 O5 Dy1 111.2(4) . . ?
C17 C16 C15 120.8(11) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C16 C17 C18 119.8(11) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C20 C19 C18 120.0(12) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C15 120.2(12) . . ?
C19 C20 C27 116.9(16) . . ?
C15 C20 C27 122.8(17) . . ?
C24 C23 C27 120.0 . . ?
C24 C23 H23 120.0 . . ?
C27 C23 H23 120.0 . . ?
N3 C24 C23 120.0 . . ?
N3 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 N3 C25 120.0 . . ?
C24 N3 H3A 120.0 . . ?
C25 N3 H3A 120.0 . . ?
N3 C25 C26 120.0 . . ?
N3 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 C27 120.0 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C23 120.0 . . ?
C26 C27 C20 122.6(17) . . ?
C23 C27 C20 116.9(17) . . ?
O9 C28 O8 119.7(16) . . ?
O9 C28 C29 118.3(17) . . ?
O8 C28 C29 122.0(17) . . ?
O9 C28 Dy2 56.8(9) . . ?
O8 C28 Dy2 62.9(9) . . ?
C29 C28 Dy2 175.0(13) . . ?
C30A C29 C34A 119.3(10) . . ?
C34 C29 C30 117.6(11) . . ?
C30A C29 C28 122.9(15) . . ?
C34 C29 C28 120.5(13) . . ?
C34A C29 C28 117.8(15) . . ?
C30 C29 C28 120.4(13) . . ?
C31A C32 C33A 120.2(10) . . ?
C33 C32 C31 117.4(11) . . ?
C31A C32 C35 117.4(13) . . ?
C33 C32 C35 123.5(12) . . ?
C33A C32 C35 122.3(13) . . ?
C31 C32 C35 116.4(12) . . ?
O10 C35 O11 118.1(12) . . ?
O10 C35 C32 122.1(15) . . ?
O11 C35 C32 119.7(14) . . ?
O10 C35 Dy2 56.7(7) . 1_455 ?
O11 C35 Dy2 61.5(7) . 1_455 ?
C32 C35 Dy2 176.2(10) . 1_455 ?
C31 C30 C29 119.4(11) . . ?
C31 C30 H30 120.3 . . ?
C29 C30 H30 120.3 . . ?
C30 C31 C32 120.2(11) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C34 C33 C32 119.7(11) . . ?
C34 C33 C36 114.2(17) . . ?
C32 C33 C36 125.3(18) . . ?
C29 C34 C33 120.5(11) . . ?
C29 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C40 C36 C37 122(3) . . ?
C40 C36 C33 121(3) . . ?
C37 C36 C33 117(3) . . ?
C38 C37 C36 110(3) . . ?
C38 C37 H37 124.8 . . ?
C36 C37 H37 124.8 . . ?
C37 C38 N2 133(4) . . ?
C37 C38 H38 113.4 . . ?
N2 C38 H38 113.4 . . ?
C38 N2 C39 109(3) . . ?
C40 C39 N2 129(4) . . ?
C40 C39 H39 115.3 . . ?
N2 C39 H39 115.3 . . ?
C39 C40 C36 116(4) . . ?
C39 C40 H40 122.1 . . ?
C36 C40 H40 122.1 . . ?
C29 C30A C31A 120.3(12) . . ?
C29 C30A H30A 119.8 . . ?
C31A C30A H30A 119.8 . . ?
C32 C31A C30A 120.4(12) . . ?
C32 C31A H31A 119.8 . . ?
C30A C31A H31A 119.8 . . ?
C34A C33A C32 119.2(12) . . ?
C34A C33A C36A 117.9(19) . . ?
C32 C33A C36A 123(2) . . ?
C33A C34A C29 120.6(12) . . ?
C33A C34A H34A 119.7 . . ?
C29 C34A H34A 119.7 . . ?
C37A C36A C40A 119(5) . . ?
C37A C36A C33A 123(4) . . ?
C40A C36A C33A 118(4) . . ?
C36A C37A C38A 122(5) . . ?
C36A C37A H37A 119.2 . . ?
C38A C37A H37A 119.2 . . ?
N2A C38A C37A 125(5) . . ?
N2A C38A H38A 117.6 . . ?
C37A C38A H38A 117.6 . . ?
C39A N2A C38A 114(4) . . ?
N2A C39A C40A 126(5) . . ?
N2A C39A H39A 117.2 . . ?
C40A C39A H39A 117.2 . . ?
C36A C40A C39A 115(4) . . ?
C36A C40A H40A 122.7 . . ?
C39A C40A H40A 122.7 . . ?
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 O1 2.337(11) . ?
Dy1 O1 2.337(11) 4_575 ?
Dy1 O7 2.343(18) 1_655 ?
Dy1 O12 2.402(14) . ?
Dy1 O6 2.411(17) 1_655 ?
Dy1 O11 2.417(12) 4_675 ?
Dy1 O11 2.417(12) 1_655 ?
Dy1 O5 2.563(11) 4_575 ?
Dy1 O5 2.563(11) . ?
Dy1 C21 2.75(2) 1_655 ?
Dy1 C14 2.94(2) . ?
Dy2 O2 2.314(10) . ?
Dy2 O5 2.367(11) . ?
Dy2 O9 2.368(13) . ?
Dy2 O3 2.387(13) 1_556 ?
Dy2 O10 2.446(11) 1_655 ?
Dy2 O4 2.482(12) 1_556 ?
Dy2 N1 2.483(13) 3_666 ?
Dy2 O8 2.500(13) . ?
Dy2 O11 2.551(12) 1_655 ?
Dy2 C8 2.787(16) 1_556 ?
Dy2 C28 2.807(16) . ?
Dy2 C35 2.901(13) 1_655 ?
O1 C1 1.26(2) . ?
O2 C1 1.233(19) . ?
O3 C8 1.26(2) . ?
O4 C8 1.24(2) . ?
O6 C21 1.25(3) . ?
O7 C21 1.25(3) . ?
O8 C28 1.25(2) . ?
O9 C28 1.24(2) . ?
O10 C35 1.263(18) . ?
O11 C35 1.292(19) . ?
O12 H12B 0.8427 . ?
O12 H12B 0.8427 4_575 ?
N1 C12 1.34(2) . ?
N1 C11 1.35(2) . ?
C1 C2 1.50(2) . ?
C2 C3 1.39(3) . ?
C2 C7 1.39(2) . ?
C3 C4 1.40(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.37(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.40(2) . ?
C5 C8 1.52(2) . ?
C6 C7 1.40(2) . ?
C6 C9 1.48(2) . ?
C7 H7 0.9500 . ?
C9 C10 1.40(2) . ?
C9 C13 1.41(2) . ?
C10 C11 1.36(2) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C13 1.35(2) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 O5 1.258(15) 4_575 ?
C14 O5 1.258(15) . ?
C14 C15 1.50(3) . ?
C15 C16 1.379(9) . ?
C15 C20 1.382(9) . ?
C18 C17 1.377(9) . ?
C18 C19 1.383(9) . ?
C18 C21 1.50(3) . ?
C16 C17 1.376(9) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C19 C20 1.380(10) . ?
C19 H19 0.9500 . ?
C20 C27 1.56(2) . ?
C23 C24 1.3900 . ?
C23 C27 1.3900 . ?
C23 H23 0.9500 . ?
C24 N3 1.3900 . ?
C24 H24 0.9500 . ?
N3 C25 1.3900 . ?
N3 H3A 0.8800 . ?
C25 C26 1.3900 . ?
C25 H25 0.9500 . ?
C26 C27 1.3900 . ?
C26 H26 0.9500 . ?
C28 C29 1.514(19) . ?
C29 C30A 1.370(9) . ?
C29 C34 1.374(9) . ?
C29 C34A 1.389(9) . ?
C29 C30 1.390(9) . ?
C32 C31A 1.370(9) . ?
C32 C33 1.381(9) . ?
C32 C33A 1.384(10) . ?
C32 C31 1.387(9) . ?
C32 C35 1.490(17) . ?
C30 C31 1.380(10) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C33 C34 1.378(10) . ?
C33 C36 1.51(4) . ?
C34 H34 0.9500 . ?
C36 C40 1.42(5) . ?
C36 C37 1.48(5) . ?
C37 C38 1.38(5) . ?
C37 H37 0.9500 . ?
C38 N2 1.39(5) . ?
C38 H38 0.9500 . ?
N2 C39 1.41(5) . ?
C39 C40 1.36(5) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C30A C31A 1.375(10) . ?
C30A H30A 0.9500 . ?
C31A H31A 0.9500 . ?
C33A C34A 1.380(10) . ?
C33A C36A 1.67(5) . ?
C34A H34A 0.9500 . ?
C36A C37A 1.30(6) . ?
C36A C40A 1.37(7) . ?
C37A C38A 1.35(6) . ?
C37A H37A 0.9500 . ?
C38A N2A 1.34(6) . ?
C38A H38A 0.9500 . ?
N2A C39A 1.29(6) . ?
C39A C40A 1.46(6) . ?
C39A H39A 0.9500 . ?
C40A H40A 0.9500 . ?
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
Dy2 O2 C1 O1 0(3) . . . . ?
Dy2 O2 C1 C2 -178.8(11) . . . . ?
Dy1 O1 C1 O2 0(4) . . . . ?
Dy1 O1 C1 C2 178.7(13) . . . . ?
O2 C1 C2 C3 178(2) . . . . ?
O1 C1 C2 C3 -1(3) . . . . ?
O2 C1 C2 C7 -4(3) . . . . ?
O1 C1 C2 C7 177.9(18) . . . . ?
C7 C2 C3 C4 3(4) . . . . ?
C1 C2 C3 C4 -178(2) . . . . ?
C2 C3 C4 C5 -3(4) . . . . ?
C3 C4 C5 C6 0(4) . . . . ?
C3 C4 C5 C8 -179(2) . . . . ?
C4 C5 C6 C7 1(3) . . . . ?
C8 C5 C6 C7 -179.2(19) . . . . ?
C4 C5 C6 C9 -177(2) . . . . ?
C8 C5 C6 C9 2(3) . . . . ?
C3 C2 C7 C6 -2(3) . . . . ?
C1 C2 C7 C6 179.8(17) . . . . ?
C5 C6 C7 C2 -1(3) . . . . ?
C9 C6 C7 C2 177.8(17) . . . . ?
Dy2 O4 C8 O3 -10(2) 1_554 . . . ?
Dy2 O4 C8 C5 167.9(17) 1_554 . . . ?
Dy2 O3 C8 O4 11(2) 1_554 . . . ?
Dy2 O3 C8 C5 -167.5(15) 1_554 . . . ?
C4 C5 C8 O4 150(2) . . . . ?
C6 C5 C8 O4 -29(3) . . . . ?
C4 C5 C8 O3 -32(3) . . . . ?
C6 C5 C8 O3 149(2) . . . . ?
C4 C5 C8 Dy2 -96(7) . . . 1_554 ?
C6 C5 C8 Dy2 85(7) . . . 1_554 ?
C5 C6 C9 C10 133(2) . . . . ?
C7 C6 C9 C10 -45(2) . . . . ?
C5 C6 C9 C13 -46(3) . . . . ?
C7 C6 C9 C13 135.8(16) . . . . ?
C13 C9 C10 C11 2(2) . . . . ?
C6 C9 C10 C11 -177.6(15) . . . . ?
C12 N1 C11 C10 0(2) . . . . ?
Dy2 N1 C11 C10 172.2(14) 3_666 . . . ?
C9 C10 C11 N1 0(3) . . . . ?
C11 N1 C12 C13 -1(2) . . . . ?
Dy2 N1 C12 C13 -173.1(11) 3_666 . . . ?
N1 C12 C13 C9 3(2) . . . . ?
C10 C9 C13 C12 -3(2) . . . . ?
C6 C9 C13 C12 176.4(14) . . . . ?
O5 C14 C15 C16 -75.2(18) 4_575 . . . ?
O5 C14 C15 C16 111.1(16) . . . . ?
O5 C14 C15 C20 108.1(17) 4_575 . . . ?
O5 C14 C15 C20 -66(2) . . . . ?
Dy1 O7 C21 O6 0.000(7) 1_455 . . . ?
Dy1 O7 C21 C18 180.000(6) 1_455 . . . ?
Dy1 O6 C21 O7 0.000(6) 1_455 . . . ?
Dy1 O6 C21 C18 180.000(6) 1_455 . . . ?
C17 C18 C21 O7 161.7(9) . . . . ?
C19 C18 C21 O7 -20.9(11) . . . . ?
C17 C18 C21 O6 -18.3(9) . . . . ?
C19 C18 C21 O6 159.1(11) . . . . ?
O5 C14 O5 Dy2 154.2(11) 4_575 . . . ?
C15 C14 O5 Dy2 -32(3) . . . . ?
Dy1 C14 O5 Dy2 154(2) . . . . ?
O5 C14 O5 Dy1 0.2(19) 4_575 . . . ?
C15 C14 O5 Dy1 173.9(15) . . . . ?
C20 C15 C16 C17 -0.6(8) . . . . ?
C14 C15 C16 C17 -177.5(6) . . . . ?
C15 C16 C17 C18 -1.4(8) . . . . ?
C19 C18 C17 C16 3.7(16) . . . . ?
C21 C18 C17 C16 -178.9(6) . . . . ?
C17 C18 C19 C20 -4(2) . . . . ?
C21 C18 C19 C20 178.5(13) . . . . ?
C18 C19 C20 C15 2(2) . . . . ?
C18 C19 C20 C27 178(2) . . . . ?
C16 C15 C20 C19 0.2(18) . . . . ?
C14 C15 C20 C19 176.8(13) . . . . ?
C16 C15 C20 C27 -175.8(19) . . . . ?
C14 C15 C20 C27 1(2) . . . . ?
C27 C23 C24 N3 0.0 . . . . ?
C23 C24 N3 C25 0.0 . . . . ?
C24 N3 C25 C26 0.0 . . . . ?
N3 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C23 0.0 . . . . ?
C25 C26 C27 C20 171(2) . . . . ?
C24 C23 C27 C26 0.0 . . . . ?
C24 C23 C27 C20 -172(2) . . . . ?
C19 C20 C27 C26 -41(3) . . . . ?
C15 C20 C27 C26 135.4(17) . . . . ?
C19 C20 C27 C23 131.0(18) . . . . ?
C15 C20 C27 C23 -53(3) . . . . ?
Dy2 O9 C28 O8 -1(2) . . . . ?
Dy2 O9 C28 C29 179.0(14) . . . . ?
Dy2 O8 C28 O9 1.2(19) . . . . ?
Dy2 O8 C28 C29 -179.0(16) . . . . ?
O9 C28 C29 C30A -155(3) . . . . ?
O8 C28 C29 C30A 25(4) . . . . ?
O9 C28 C29 C34 -27(3) . . . . ?
O8 C28 C29 C34 154(2) . . . . ?
O9 C28 C29 C34A 27(3) . . . . ?
O8 C28 C29 C34A -152(3) . . . . ?
O9 C28 C29 C30 168(2) . . . . ?
O8 C28 C29 C30 -12(3) . . . . ?
Dy2 O10 C35 O11 2.1(14) 1_455 . . . ?
Dy2 O10 C35 C32 -175.7(11) 1_455 . . . ?
Dy1 O11 C35 O10 -138.3(15) 1_455 . . . ?
Dy2 O11 C35 O10 -2.0(13) 1_455 . . . ?
Dy1 O11 C35 C32 40(3) 1_455 . . . ?
Dy2 O11 C35 C32 175.8(11) 1_455 . . . ?
Dy1 O11 C35 Dy2 -136.2(18) 1_455 . . 1_455 ?
C31A C32 C35 O10 69(3) . . . . ?
C33 C32 C35 O10 -56(3) . . . . ?
C33A C32 C35 O10 -115(3) . . . . ?
C31 C32 C35 O10 104(2) . . . . ?
C31A C32 C35 O11 -109(3) . . . . ?
C33 C32 C35 O11 126(2) . . . . ?
C33A C32 C35 O11 67(3) . . . . ?
C31 C32 C35 O11 -73(2) . . . . ?
C34 C29 C30 C31 19(4) . . . . ?
C28 C29 C30 C31 -175(3) . . . . ?
C29 C30 C31 C32 -2(5) . . . . ?
C33 C32 C31 C30 -17(4) . . . . ?
C35 C32 C31 C30 -179(3) . . . . ?
C31 C32 C33 C34 19(4) . . . . ?
C35 C32 C33 C34 180(3) . . . . ?
C31 C32 C33 C36 -171(3) . . . . ?
C35 C32 C33 C36 -11(5) . . . . ?
C30 C29 C34 C33 -17(4) . . . . ?
C28 C29 C34 C33 177(3) . . . . ?
C32 C33 C34 C29 -2(5) . . . . ?
C36 C33 C34 C29 -173(3) . . . . ?
C34 C33 C36 C40 133(4) . . . . ?
C32 C33 C36 C40 -37(5) . . . . ?
C34 C33 C36 C37 -50(5) . . . . ?
C32 C33 C36 C37 140(3) . . . . ?
C40 C36 C37 C38 -6(5) . . . . ?
C33 C36 C37 C38 177(3) . . . . ?
C36 C37 C38 N2 9(6) . . . . ?
C37 C38 N2 C39 -7(6) . . . . ?
C38 N2 C39 C40 2(6) . . . . ?
N2 C39 C40 C36 -1(6) . . . . ?
C37 C36 C40 C39 3(5) . . . . ?
C33 C36 C40 C39 -180(3) . . . . ?
C34A C29 C30A C31A 2(6) . . . . ?
C28 C29 C30A C31A -176(3) . . . . ?
C33A C32 C31A C30A 3(6) . . . . ?
C35 C32 C31A C30A 179(4) . . . . ?
C29 C30A C31A C32 -3(7) . . . . ?
C31A C32 C33A C34A -2(5) . . . . ?
C35 C32 C33A C34A -178(3) . . . . ?
C31A C32 C33A C36A -178(4) . . . . ?
C35 C32 C33A C36A 6(5) . . . . ?
C32 C33A C34A C29 1(6) . . . . ?
C36A C33A C34A C29 177(3) . . . . ?
C30A C29 C34A C33A -1(6) . . . . ?
C28 C29 C34A C33A 177(3) . . . . ?
C34A C33A C36A C37A -132(5) . . . . ?
C32 C33A C36A C37A 44(6) . . . . ?
C34A C33A C36A C40A 49(6) . . . . ?
C32 C33A C36A C40A -135(4) . . . . ?
C40A C36A C37A C38A -5(8) . . . . ?
C33A C36A C37A C38A 176(4) . . . . ?
C36A C37A C38A N2A 4(8) . . . . ?
C37A C38A N2A C39A 0(7) . . . . ?
C38A N2A C39A C40A -3(7) . . . . ?
C37A C36A C40A C39A 2(7) . . . . ?
C33A C36A C40A C39A -179(4) . . . . ?
N2A C39A C40A C36A 2(7) . . . . ?
