#------------------------------------------------------------------------------
#$Date: 2020-10-06 11:46:19 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257533 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/48/7704801.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_7704801
loop_
_publ_author_name
'Jin, Chaoyi'
'Li, Xiao-Lei'
'Liu, Zhiliang'
'Mansikkamäki, Akseli'
'Tang, Jinkui'
_publ_section_title
;
 An investigation into the magnetic interactions in a series of
 Dy₂ single-molecule magnets.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10477
_journal_page_last               10485
_journal_paper_doi               10.1039/d0dt01926g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C40 H47 Dy2 N9 O11 S, C H4 O'
_chemical_formula_sum            'C41 H51 Dy2 N9 O12 S'
_chemical_formula_weight         1218.97
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2020-06-22
_audit_creation_method
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_audit_update_record
;
2020-06-30 deposited with the CCDC.	2020-07-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 116.407(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.5797(6)
_cell_length_b                   21.9434(9)
_cell_length_c                   15.8475(7)
_cell_measurement_reflns_used    9952
_cell_measurement_temperature    173
_cell_measurement_theta_max      59.42
_cell_measurement_theta_min      3.71
_cell_volume                     4541.0(3)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            27644
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        59.412
_diffrn_reflns_theta_max         59.412
_diffrn_reflns_theta_min         3.384
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    18.436
_exptl_absorpt_correction_T_max  0.025
_exptl_absorpt_correction_T_min  0.010
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_description       block
_exptl_crystal_F_000             2416
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.796
_refine_diff_density_min         -0.830
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     490
_refine_ls_number_reflns         6554
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.317
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0358P)²+12.1427P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0784
_refine_ls_wR_factor_ref         0.0835
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5700
_reflns_number_total             6554
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01926g2.cif
_cod_data_source_block           3
_cod_depositor_comments
;Adding full bibliography for 7704799--7704801.cif.

 Adding full bibliography for 7704799--7704801.cif.
;
_cod_database_code               7704801
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O8-H8
 0.85 with sigma of 0.01
 O7-H7
 0.85 with sigma of 0.01
 O3-H3
 0.85 with sigma of 0.01
 O2-H2
 0.85 with sigma of 0.01
 H3-H2
 2.5 with sigma of 0.02
 C25-H8
 1.887906 with sigma of 0.02
 Dy2-H8
 3.066052 with sigma of 0.02
 C14-H7
 1.885022 with sigma of 0.02
 Dy2-H7
 2.896987 with sigma of 0.02
 C34-H3
 1.881468 with sigma of 0.02
 Dy1-H3
 3.026064 with sigma of 0.02
 C5-H2
 1.903468 with sigma of 0.02
 Dy1-H2
 3.185409 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C40) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4.a Everything fixed:
 O3, H3, O4, O9, O2, H2, O1, O8, H8, O10, N1, N2, O11, N3, N4
4.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C21(H21A,H21B),
 C25(H25A,H25B), C26(H26A,H26B), C27(H27A,H27B), C32(H32A,H32B), C34(H34A,H34B)
4.c Aromatic/amide H refined with riding coordinates:
 C3(H3A), C13(H13), C19(H19), C20(H20), C23(H23), C28(H28), C29(H29), C30(H30),
  C31(H31), C33(H33), C35(H35), C37(H37), C41(H41)
4.d Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C40(H40A,H40B,
 H40C)
4.e Idealised tetrahedral OH refined as rotating group:
 O12(H12)
;
_olex2_submission_special_instructions 'No special instructions were received'
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 0.85228(2) 0.41295(2) 0.34137(2) 0.01572(10) Uani 1 1 d D . . . .
Dy2 Dy 0.59055(2) 0.51597(2) 0.25550(2) 0.01599(10) Uani 1 1 d D . . . .
S1 S 0.38196(13) 0.32459(8) 0.25193(14) 0.0533(5) Uani 1 1 d . . . . .
O6 O 0.7347(2) 0.46227(15) 0.3829(2) 0.0143(7) Uani 1 1 d . . . . .
O7 O 0.7388(2) 0.57539(15) 0.2979(2) 0.0202(8) Uani 1 1 d D . . . .
H7 H 0.7962(12) 0.5597(9) 0.309(4) 0.030 Uiso 1 1 d D U . . .
O5 O 0.6938(2) 0.45772(15) 0.2074(2) 0.0151(7) Uani 1 1 d . . . . .
O3 O 0.898340 0.514390 0.335880 0.017 Uani 1 1 d D . . . .
H3 H 0.870540 0.521040 0.365620 0.026 Uiso 1 1 d D U . . .
O4 O 0.704520 0.343540 0.280240 0.025 Uani 1 1 d . . . . .
O9 O 0.424400 0.531120 0.209950 0.023 Uani 1 1 d . . . . .
O2 O 1.017470 0.431810 0.487690 0.020 Uani 1 1 d D . . . .
H2 H 1.040170 0.419770 0.542460 0.030 Uiso 1 1 d D U . . .
O1 O 0.927390 0.320850 0.375690 0.023 Uani 1 1 d . . . . .
O8 O 0.550280 0.589550 0.126180 0.023 Uani 1 1 d D . . . .
H8 H 0.522800 0.582170 0.067760 0.035 Uiso 1 1 d D U . . .
O10 O 0.263790 0.577080 0.222230 0.032 Uani 1 1 d . . . . .
N1 N 0.774410 0.404310 0.516760 0.020 Uani 1 1 d . . . . .
N2 N 0.496810 0.459970 0.103470 0.018 Uani 1 1 d . . . . .
O11 O 1.077120 0.251450 0.375250 0.038 Uani 1 1 d . . . . .
N3 N 0.823890 0.396550 0.170490 0.017 Uani 1 1 d . . . . .
N4 N 0.557900 0.430690 0.066050 0.020 Uani 1 1 d . . . . .
N5 N 1.0107(3) 0.42264(19) 0.3043(3) 0.0179(10) Uani 1 1 d . . . . .
N6 N 0.8405(3) 0.37396(19) 0.4867(3) 0.0192(10) Uani 1 1 d . . . . .
N7 N 0.5736(3) 0.62866(19) 0.3036(3) 0.0181(9) Uani 1 1 d . . . . .
N8 N 0.5333(3) 0.4128(2) 0.2876(3) 0.0247(11) Uani 1 1 d . . . . .
C1 C 0.7294(4) 0.4031(2) 0.0983(3) 0.0192(12) Uani 1 1 d . . . . .
C2 C 0.5674(4) 0.5788(2) 0.4403(4) 0.0203(12) Uani 1 1 d . . . . .
C3 C 0.4011(4) 0.4455(3) 0.0594(4) 0.0239(12) Uani 1 1 d . . . . .
H3A H 0.382312 0.418244 0.007758 0.029 Uiso 1 1 calc R U . . .
C4 C 0.6620(4) 0.4898(2) 0.4846(3) 0.0185(12) Uani 1 1 d . . . . .
C5 C 1.1041(4) 0.4493(2) 0.4716(4) 0.0209(12) Uani 1 1 d D . . . .
H5A H 1.168621 0.442781 0.529590 0.025 Uiso 1 1 calc R U . . .
H5B H 1.099278 0.492952 0.454610 0.025 Uiso 1 1 calc R U . . .
C6 C 0.7261(3) 0.4480(2) 0.4587(3) 0.0175(11) Uani 1 1 d . . . . .
C7 C 0.9841(4) 0.2910(2) 0.4525(4) 0.0209(12) Uani 1 1 d . . . . .
C8 C 0.3200(4) 0.4666(3) 0.0806(4) 0.0244(13) Uani 1 1 d . . . . .
C10 C 0.3352(4) 0.5095(2) 0.1528(4) 0.0214(12) Uani 1 1 d . . . . .
C11 C 0.6548(4) 0.4326(2) 0.1251(4) 0.0181(11) Uani 1 1 d . . . . .
C12 C 0.4707(4) 0.3756(3) 0.2718(4) 0.0251(13) Uani 1 1 d . . . . .
C13 C 0.6608(4) 0.4900(3) 0.5712(4) 0.0247(13) Uani 1 1 d . . . . .
H13 H 0.692909 0.458250 0.615459 0.030 Uiso 1 1 calc R U . . .
C14 C 0.7539(4) 0.6378(2) 0.3240(4) 0.0204(12) Uani 1 1 d D . . . .
H14A H 0.744952 0.663090 0.269109 0.025 Uiso 1 1 calc R U . . .
H14B H 0.824289 0.644161 0.374361 0.025 Uiso 1 1 calc R U . . .
C15 C 1.0033(4) 0.3754(3) 0.2357(4) 0.0228(12) Uani 1 1 d . . . . .
H15A H 1.014453 0.334746 0.265913 0.027 Uiso 1 1 calc R U . . .
H15B H 1.057180 0.382009 0.214766 0.027 Uiso 1 1 calc R U . . .
C16 C 1.0124(4) 0.4852(2) 0.2681(4) 0.0228(12) Uani 1 1 d . . . . .
H16A H 1.009594 0.481954 0.204710 0.027 Uiso 1 1 calc R U . . .
H16B H 1.077953 0.505080 0.310011 0.027 Uiso 1 1 calc R U . . .
C17 C 0.9700(4) 0.2941(2) 0.5359(4) 0.0223(12) Uani 1 1 d . . . . .
C18 C 0.2452(4) 0.5300(3) 0.1590(4) 0.0264(13) Uani 1 1 d . . . . .
C19 C 0.6113(4) 0.5376(3) 0.5923(4) 0.0271(14) Uani 1 1 d . . . . .
H19 H 0.608856 0.538858 0.651172 0.033 Uiso 1 1 calc R U . . .
C20 C 1.0341(4) 0.2605(2) 0.6166(4) 0.0241(13) Uani 1 1 d . . . . .
H20 H 1.022964 0.262654 0.671211 0.029 Uiso 1 1 calc R U . . .
C21 C 0.5110(4) 0.6639(2) 0.2166(4) 0.0238(12) Uani 1 1 d . . . . .
H21A H 0.516454 0.707818 0.232205 0.029 Uiso 1 1 calc R U . . .
H21B H 0.438232 0.651935 0.192899 0.029 Uiso 1 1 calc R U . . .
C22 C 0.9000(4) 0.3772(2) 0.1522(4) 0.0198(12) Uani 1 1 d . . . . .
C23 C 0.8940(4) 0.3320(2) 0.5446(4) 0.0222(12) Uani 1 1 d . . . . .
H23 H 0.882244 0.325515 0.598219 0.027 Uiso 1 1 calc R U . . .
C24 C 1.0654(4) 0.2522(3) 0.4569(4) 0.0257(13) Uani 1 1 d . . . . .
C25 C 0.5441(4) 0.6536(2) 0.1402(4) 0.0252(13) Uani 1 1 d D . . . .
H25A H 0.494159 0.672651 0.080850 0.030 Uiso 1 1 calc R U . . .
H25B H 0.611719 0.672737 0.158284 0.030 Uiso 1 1 calc R U . . .
C26 C 0.5187(4) 0.6265(2) 0.3635(4) 0.0226(12) Uani 1 1 d . . . . .
H26A H 0.445769 0.616296 0.324153 0.027 Uiso 1 1 calc R U . . .
H26B H 0.522046 0.666941 0.392406 0.027 Uiso 1 1 calc R U . . .
C27 C 1.1038(4) 0.4114(2) 0.3937(4) 0.0232(13) Uani 1 1 d . . . . .
H27A H 1.165328 0.420923 0.384794 0.028 Uiso 1 1 calc R U . . .
H27B H 1.106839 0.367765 0.410617 0.028 Uiso 1 1 calc R U . . .
C28 C 0.7860(4) 0.3644(3) -0.0108(4) 0.0256(13) Uani 1 1 d . . . . .
H28 H 0.772238 0.351226 -0.072451 0.031 Uiso 1 1 calc R U . . .
C29 C 1.1120(4) 0.2247(2) 0.6184(4) 0.0271(13) Uani 1 1 d . . . . .
H29 H 1.155278 0.203182 0.673921 0.033 Uiso 1 1 calc R U . . .
C30 C 1.1270(4) 0.2204(3) 0.5370(4) 0.0294(14) Uani 1 1 d . . . . .
H30 H 1.180210 0.195317 0.537273 0.035 Uiso 1 1 calc R U . . .
C31 C 0.1507(4) 0.5058(3) 0.1039(4) 0.0370(16) Uani 1 1 d . . . . .
H31 H 0.093036 0.519205 0.111766 0.044 Uiso 1 1 calc R U . . .
C32 C 0.6766(4) 0.6564(3) 0.3589(4) 0.0221(12) Uani 1 1 d . . . . .
H32A H 0.702562 0.644260 0.425731 0.026 Uiso 1 1 calc R U . . .
H32B H 0.669712 0.701372 0.355736 0.026 Uiso 1 1 calc R U . . .
C33 C 0.8832(4) 0.3605(3) 0.0617(4) 0.0256(13) Uani 1 1 d . . . . .
H33 H 0.938304 0.346616 0.050206 0.031 Uiso 1 1 calc R U . . .
C34 C 0.9253(4) 0.5250(3) 0.2620(4) 0.0300(14) Uani 1 1 d D . . . .
H34A H 0.944981 0.568254 0.263272 0.036 Uiso 1 1 calc R U . . .
H34B H 0.864790 0.517398 0.201052 0.036 Uiso 1 1 calc R U . . .
C35 C 0.2222(4) 0.4437(3) 0.0239(4) 0.0352(15) Uani 1 1 d . . . . .
H35 H 0.213215 0.414983 -0.024054 0.042 Uiso 1 1 calc R U . . .
C36 C 0.1766(4) 0.6078(3) 0.2205(5) 0.0411(17) Uani 1 1 d . . . . .
H36A H 0.132249 0.621426 0.156176 0.062 Uiso 1 1 calc R U . . .
H36B H 0.199187 0.643146 0.262627 0.062 Uiso 1 1 calc R U . . .
H36C H 0.138432 0.579867 0.241533 0.062 Uiso 1 1 calc R U . . .
C37 C 0.1384(4) 0.4619(3) 0.0363(5) 0.0444(18) Uani 1 1 d . . . . .
H37 H 0.072867 0.444637 -0.000900 0.053 Uiso 1 1 calc R U . . .
O12 O 0.6673(7) 0.3242(4) 0.5876(6) 0.118(3) Uani 1 1 d . . . . .
H12 H 0.694675 0.349327 0.565813 0.177 Uiso 1 1 calc R U . . .
C38 C 0.6969(5) 0.2803(3) 0.2959(6) 0.057(2) Uani 1 1 d . . . . .
H38A H 0.633815 0.263882 0.245518 0.086 Uiso 1 1 calc R U . . .
H38B H 0.695674 0.274565 0.356740 0.086 Uiso 1 1 calc R U . . .
H38C H 0.756067 0.258809 0.296331 0.086 Uiso 1 1 calc R U . . .
C39 C 1.1681(6) 0.2249(4) 0.3816(5) 0.074(3) Uani 1 1 d . . . . .
H39A H 1.173294 0.232193 0.322827 0.111 Uiso 1 1 calc R U . . .
H39B H 1.167033 0.180977 0.391972 0.111 Uiso 1 1 calc R U . . .
H39C H 1.227129 0.243236 0.434274 0.111 Uiso 1 1 calc R U . . .
C40 C 0.6365(11) 0.2698(7) 0.5276(11) 0.161(6) Uani 1 1 d . U . . .
H40A H 0.595405 0.281965 0.461870 0.241 Uiso 1 1 calc R U . . .
H40B H 0.595941 0.243039 0.547484 0.241 Uiso 1 1 calc R U . . .
H40C H 0.697747 0.248016 0.533346 0.241 Uiso 1 1 calc R U . . .
N9 N 0.6125(3) 0.53240(19) 0.4190(3) 0.0173(9) Uani 1 1 d . . . . .
C41 C 0.5661(4) 0.5828(3) 0.5270(4) 0.0254(13) Uani 1 1 d . . . . .
H41 H 0.534124 0.616380 0.541021 0.030 Uiso 1 1 calc R U . . .
C0AA C 0.7091(4) 0.3876(3) 0.0074(4) 0.0233(13) Uani 1 1 d . . . . .
H0AA H 0.652(4) 0.395(2) -0.034(4) 0.024(16) Uiso 1 1 d . . . . .
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'
S S 0.3331 0.5567 '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
O6 Dy1 O5 63.33(10) . . ?
O6 Dy1 H3 62.9 . . ?
O6 Dy1 O4 77.03(8) . . ?
O6 Dy1 O2 100.58(7) . . ?
O6 Dy1 N3 124.15(7) . . ?
O6 Dy1 N5 147.69(12) . . ?
O6 Dy1 N6 63.18(12) . . ?
O5 Dy1 H3 75.3 . . ?
O5 Dy1 N3 60.93(7) . . ?
O5 Dy1 N5 110.17(11) . . ?
O3 Dy1 O6 80.20(8) . . ?
O3 Dy1 O5 76.72(7) . . ?
O3 Dy1 H3 18.4 . . ?
O3 Dy1 O4 142.297(12) . . ?
O3 Dy1 O2 72.891(8) . . ?
O3 Dy1 N3 90.481(10) . . ?
O3 Dy1 N5 67.65(9) . . ?
O3 Dy1 N6 119.48(10) . . ?
O4 Dy1 O5 66.30(7) . . ?
O4 Dy1 H3 133.7 . . ?
O4 Dy1 O2 140.707(13) . . ?
O4 Dy1 N3 78.243(8) . . ?
O4 Dy1 N5 131.61(9) . . ?
O4 Dy1 N6 75.35(9) . . ?
O2 Dy1 O5 147.75(7) . . ?
O2 Dy1 H3 72.4 . . ?
O2 Dy1 N3 129.022(11) . . ?
O2 Dy1 N5 67.58(9) . . ?
O2 Dy1 N6 69.10(9) . . ?
O1 Dy1 O6 133.04(8) . . ?
O1 Dy1 O5 135.61(7) . . ?
O1 Dy1 O3 138.434(12) . . ?
O1 Dy1 H3 147.5 . . ?
O1 Dy1 O4 77.611(9) . . ?
O1 Dy1 O2 76.238(8) . . ?
O1 Dy1 N3 87.818(10) . . ?
O1 Dy1 N5 75.23(9) . . ?
O1 Dy1 N6 72.49(9) . . ?
N3 Dy1 H3 105.1 . . ?
N3 Dy1 N5 61.55(9) . . ?
N5 Dy1 H3 84.8 . . ?
N6 Dy1 O5 119.09(11) . . ?
N6 Dy1 H3 103.6 . . ?
N6 Dy1 N3 149.80(10) . . ?
N6 Dy1 N5 130.62(12) . . ?
O6 Dy2 N2 117.05(7) . . ?
O6 Dy2 N7 111.52(11) . . ?
O6 Dy2 N8 69.33(12) . . ?
O6 Dy2 N9 63.25(11) . . ?
O7 Dy2 O6 72.03(11) . . ?
O7 Dy2 O8 73.93(8) . . ?
O7 Dy2 N2 125.92(9) . . ?
O7 Dy2 N7 65.75(11) . . ?
O7 Dy2 N8 141.12(13) . . ?
O7 Dy2 N9 86.91(12) . . ?
O5 Dy2 O6 64.56(10) . . ?
O5 Dy2 O7 75.75(11) . . ?
O5 Dy2 O8 92.10(8) . . ?
O5 Dy2 N2 64.77(7) . . ?
O5 Dy2 N7 139.72(12) . . ?
O5 Dy2 N8 83.96(13) . . ?
O5 Dy2 N9 127.78(12) . . ?
O9 Dy2 O6 138.09(7) . . ?
O9 Dy2 O7 137.73(8) . . ?
O9 Dy2 O5 137.72(8) . . ?
O9 Dy2 O8 79.045(9) . . ?
O9 Dy2 N2 73.203(8) . . ?
O9 Dy2 N7 73.99(8) . . ?
O9 Dy2 N8 77.94(10) . . ?
O9 Dy2 N9 86.19(9) . . ?
O8 Dy2 O6 142.46(7) . . ?
O8 Dy2 N2 72.240(8) . . ?
O8 Dy2 N7 66.86(9) . . ?
O8 Dy2 N8 140.51(10) . . ?
O8 Dy2 N9 129.97(10) . . ?
N2 Dy2 N7 131.24(9) . . ?
N2 Dy2 N8 70.60(10) . . ?
N8 Dy2 N7 134.24(13) . . ?
N9 Dy2 N2 146.66(9) . . ?
N9 Dy2 N7 63.13(13) . . ?
N9 Dy2 N8 79.77(14) . . ?
Dy1 O6 Dy2 116.79(12) . . ?
C6 O6 Dy1 121.9(3) . . ?
C6 O6 Dy2 118.3(3) . . ?
Dy2 O7 H7 122.0(14) . . ?
C14 O7 Dy2 128.5(3) . . ?
C14 O7 H7 108.7(14) . . ?
Dy2 O5 Dy1 114.58(12) . . ?
C11 O5 Dy1 120.5(3) . . ?
C11 O5 Dy2 120.2(3) . . ?
Dy1 O3 H3 85.3 . . ?
C34 O3 Dy1 112.2(2) . . ?
C34 O3 H3 154.9 . . ?
C38 O4 Dy1 131.2(3) . . ?
C10 O9 Dy2 141.2(2) . . ?
Dy1 O2 H2 133.4 . . ?
C5 O2 Dy1 115.6(2) . . ?
C5 O2 H2 107.3 . . ?
C7 O1 Dy1 135.7(2) . . ?
Dy2 O8 H8 127.4 . . ?
C25 O8 Dy2 121.5(2) . . ?
C25 O8 H8 109.0 . . ?
C18 O10 C36 117.0(4) . . ?
C6 N1 N6 110.1(3) . . ?
N4 N2 Dy2 116.608(7) . . ?
C3 N2 Dy2 129.7(2) . . ?
C3 N2 N4 112.9(2) . . ?
C24 O11 C39 116.3(4) . . ?
C1 N3 Dy1 120.2(2) . . ?
C22 N3 Dy1 120.8(2) . . ?
C22 N3 C1 118.8(3) . . ?
C11 N4 N2 111.5(2) . . ?
C15 N5 Dy1 108.9(3) . . ?
C15 N5 C16 111.9(4) . . ?
C15 N5 C27 108.9(4) . . ?
C16 N5 Dy1 109.0(3) . . ?
C27 N5 Dy1 107.1(3) . . ?
C27 N5 C16 110.8(4) . . ?
N1 N6 Dy1 118.6(2) . . ?
C23 N6 Dy1 128.6(3) . . ?
C23 N6 N1 112.6(4) . . ?
C21 N7 Dy2 108.5(3) . . ?
C21 N7 C26 109.0(4) . . ?
C21 N7 C32 112.0(4) . . ?
C26 N7 Dy2 107.5(3) . . ?
C26 N7 C32 108.9(4) . . ?
C32 N7 Dy2 110.8(3) . . ?
C12 N8 Dy2 151.2(4) . . ?
N3 C1 C11 113.9(4) . . ?
N3 C1 C0AA 121.6(4) . . ?
C0AA C1 C11 124.3(5) . . ?
N9 C2 C26 115.4(4) . . ?
N9 C2 C41 121.7(5) . . ?
C41 C2 C26 122.9(5) . . ?
N2 C3 H3A 116.7 . . ?
N2 C3 C8 126.6(5) . . ?
C8 C3 H3A 116.7 . . ?
C13 C4 C6 124.1(5) . . ?
N9 C4 C6 113.7(4) . . ?
N9 C4 C13 121.9(5) . . ?
O2 C5 H5A 110.0 . . ?
O2 C5 H5B 110.0 . . ?
O2 C5 C27 108.5(4) . . ?
H5A C5 H5B 108.4 . . ?
C27 C5 H5A 110.0 . . ?
C27 C5 H5B 110.0 . . ?
O6 C6 C4 115.7(4) . . ?
N1 C6 O6 126.1(4) . . ?
N1 C6 C4 117.9(4) . . ?
O1 C7 C17 123.3(4) . . ?
O1 C7 C24 120.6(4) . . ?
C17 C7 C24 116.0(5) . . ?
C10 C8 C3 123.4(5) . . ?
C35 C8 C3 116.3(5) . . ?
C35 C8 C10 120.3(5) . . ?
O9 C10 C8 123.5(4) . . ?
O9 C10 C18 120.1(5) . . ?
C8 C10 C18 116.4(5) . . ?
O5 C11 N4 126.0(4) . . ?
O5 C11 C1 115.3(4) . . ?
N4 C11 C1 118.7(4) . . ?
N8 C12 S1 178.3(5) . . ?
C4 C13 H13 120.8 . . ?
C4 C13 C19 118.4(5) . . ?
C19 C13 H13 120.8 . . ?
O7 C14 H14A 109.9 . . ?
O7 C14 H14B 109.9 . . ?
O7 C14 C32 108.8(4) . . ?
H14A C14 H14B 108.3 . . ?
C32 C14 H14A 109.9 . . ?
C32 C14 H14B 109.9 . . ?
N5 C15 H15A 109.6 . . ?
N5 C15 H15B 109.6 . . ?
N5 C15 C22 110.4(4) . . ?
H15A C15 H15B 108.1 . . ?
C22 C15 H15A 109.6 . . ?
C22 C15 H15B 109.6 . . ?
N5 C16 H16A 108.9 . . ?
N5 C16 H16B 108.9 . . ?
N5 C16 C34 113.6(4) . . ?
H16A C16 H16B 107.7 . . ?
C34 C16 H16A 108.9 . . ?
C34 C16 H16B 108.9 . . ?
C7 C17 C23 123.3(5) . . ?
C20 C17 C7 120.4(5) . . ?
C20 C17 C23 116.3(5) . . ?
O10 C18 C10 113.3(4) . . ?
C31 C18 O10 124.8(5) . . ?
C31 C18 C10 121.9(6) . . ?
C13 C19 H19 120.4 . . ?
C41 C19 C13 119.2(5) . . ?
C41 C19 H19 120.4 . . ?
C17 C20 H20 119.1 . . ?
C29 C20 C17 121.8(5) . . ?
C29 C20 H20 119.1 . . ?
N7 C21 H21A 109.1 . . ?
N7 C21 H21B 109.1 . . ?
N7 C21 C25 112.6(4) . . ?
H21A C21 H21B 107.8 . . ?
C25 C21 H21A 109.1 . . ?
C25 C21 H21B 109.1 . . ?
N3 C22 C15 115.0(4) . . ?
N3 C22 C33 121.7(4) . . ?
C33 C22 C15 123.3(4) . . ?
N6 C23 C17 126.4(5) . . ?
N6 C23 H23 116.8 . . ?
C17 C23 H23 116.8 . . ?
O11 C24 C7 114.0(4) . . ?
C30 C24 O11 123.9(4) . . ?
C30 C24 C7 122.1(5) . . ?
O8 C25 C21 109.7(4) . . ?
O8 C25 H25A 109.7 . . ?
O8 C25 H25B 109.7 . . ?
C21 C25 H25A 109.7 . . ?
C21 C25 H25B 109.7 . . ?
H25A C25 H25B 108.2 . . ?
N7 C26 C2 109.9(4) . . ?
N7 C26 H26A 109.7 . . ?
N7 C26 H26B 109.7 . . ?
C2 C26 H26A 109.7 . . ?
C2 C26 H26B 109.7 . . ?
H26A C26 H26B 108.2 . . ?
N5 C27 C5 111.3(4) . . ?
N5 C27 H27A 109.4 . . ?
N5 C27 H27B 109.4 . . ?
C5 C27 H27A 109.4 . . ?
C5 C27 H27B 109.4 . . ?
H27A C27 H27B 108.0 . . ?
C33 C28 H28 120.6 . . ?
C33 C28 C0AA 118.7(5) . . ?
C0AA C28 H28 120.6 . . ?
C20 C29 H29 120.5 . . ?
C20 C29 C30 119.1(5) . . ?
C30 C29 H29 120.5 . . ?
C24 C30 C29 120.6(5) . . ?
C24 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C18 C31 H31 119.7 . . ?
C18 C31 C37 120.6(5) . . ?
C37 C31 H31 119.7 . . ?
N7 C32 C14 113.2(4) . . ?
N7 C32 H32A 108.9 . . ?
N7 C32 H32B 108.9 . . ?
C14 C32 H32A 108.9 . . ?
C14 C32 H32B 108.9 . . ?
H32A C32 H32B 107.8 . . ?
C22 C33 H33 120.3 . . ?
C28 C33 C22 119.3(5) . . ?
C28 C33 H33 120.3 . . ?
O3 C34 C16 112.9(4) . . ?
O3 C34 H34A 109.0 . . ?
O3 C34 H34B 109.0 . . ?
C16 C34 H34A 109.0 . . ?
C16 C34 H34B 109.0 . . ?
H34A C34 H34B 107.8 . . ?
C8 C35 H35 119.4 . . ?
C37 C35 C8 121.3(6) . . ?
C37 C35 H35 119.4 . . ?
O10 C36 H36A 109.5 . . ?
O10 C36 H36B 109.5 . . ?
O10 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C31 C37 H37 120.3 . . ?
C35 C37 C31 119.4(5) . . ?
C35 C37 H37 120.3 . . ?
C40 O12 H12 109.5 . . ?
O4 C38 H38A 109.5 . . ?
O4 C38 H38B 109.5 . . ?
O4 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O11 C39 H39A 109.5 . . ?
O11 C39 H39B 109.5 . . ?
O11 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O12 C40 H40A 109.5 . . ?
O12 C40 H40B 109.5 . . ?
O12 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C2 N9 Dy2 121.6(3) . . ?
C2 N9 C4 119.3(4) . . ?
C4 N9 Dy2 118.7(3) . . ?
C2 C41 H41 120.4 . . ?
C19 C41 C2 119.3(5) . . ?
C19 C41 H41 120.4 . . ?
C1 C0AA H0AA 117(4) . . ?
C28 C0AA C1 119.7(5) . . ?
C28 C0AA H0AA 123(4) . . ?
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 O6 2.356(3) . ?
Dy1 O5 2.540(3) . ?
Dy1 O3 2.3378(3) . ?
Dy1 H3 2.3985 . ?
Dy1 O4 2.4582(3) . ?
Dy1 O2 2.5261(3) . ?
Dy1 O1 2.2472(3) . ?
Dy1 N3 2.5763(3) . ?
Dy1 N5 2.633(4) . ?
Dy1 N6 2.534(4) . ?
Dy2 O6 2.471(3) . ?
Dy2 O7 2.352(3) . ?
Dy2 O5 2.345(3) . ?
Dy2 O9 2.2236(3) . ?
Dy2 O8 2.4661(3) . ?
Dy2 N2 2.5007(3) . ?
Dy2 N7 2.632(4) . ?
Dy2 N8 2.542(4) . ?
Dy2 N9 2.492(4) . ?
S1 C12 1.632(6) . ?
O6 C6 1.300(6) . ?
O7 H7 0.847(9) . ?
O7 C14 1.420(6) . ?
O5 C11 1.292(6) . ?
O3 H3 0.7600 . ?
O3 C34 1.411(5) . ?
O4 C38 1.423(6) . ?
O9 C10 1.300(5) . ?
O2 H2 0.8229 . ?
O2 C5 1.447(5) . ?
O1 C7 1.304(5) . ?
O8 H8 0.8449 . ?
O8 C25 1.432(5) . ?
O10 C18 1.380(6) . ?
O10 C36 1.429(5) . ?
N1 N6 1.416(4) . ?
N1 C6 1.297(5) . ?
N2 N4 1.4239 . ?
N2 C3 1.291(5) . ?
O11 C24 1.378(5) . ?
O11 C39 1.410(7) . ?
N3 C1 1.351(5) . ?
N3 C22 1.335(5) . ?
N4 C11 1.303(5) . ?
N5 C15 1.472(6) . ?
N5 C16 1.493(7) . ?
N5 C27 1.483(6) . ?
N6 C23 1.288(6) . ?
N7 C21 1.486(6) . ?
N7 C26 1.489(6) . ?
N7 C32 1.492(6) . ?
N8 C12 1.165(7) . ?
C1 C11 1.482(7) . ?
C1 C0AA 1.377(7) . ?
C2 C26 1.521(7) . ?
C2 N9 1.334(6) . ?
C2 C41 1.385(7) . ?
C3 H3A 0.9500 . ?
C3 C8 1.442(7) . ?
C4 C6 1.493(7) . ?
C4 C13 1.381(7) . ?
C4 N9 1.344(6) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C27 1.487(7) . ?
C7 C17 1.425(7) . ?
C7 C24 1.436(7) . ?
C8 C10 1.421(8) . ?
C8 C35 1.398(7) . ?
C10 C18 1.431(7) . ?
C13 H13 0.9500 . ?
C13 C19 1.393(8) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C32 1.516(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C22 1.500(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C34 1.507(7) . ?
C17 C20 1.411(7) . ?
C17 C23 1.441(7) . ?
C18 C31 1.368(8) . ?
C19 H19 0.9500 . ?
C19 C41 1.371(8) . ?
C20 H20 0.9500 . ?
C20 C29 1.370(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C25 1.507(7) . ?
C22 C33 1.392(7) . ?
C23 H23 0.9500 . ?
C24 C30 1.375(8) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28 0.9500 . ?
C28 C33 1.373(7) . ?
C28 C0AA 1.375(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.404(8) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C31 C37 1.391(9) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33 0.9500 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35 0.9500 . ?
C35 C37 1.381(8) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37 0.9500 . ?
O12 H12 0.8400 . ?
O12 C40 1.466(14) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41 0.9500 . ?
C0AA H0AA 0.81(5) . ?
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
Dy1 O6 C6 N1 -4.1(6) . . . . ?
Dy1 O6 C6 C4 169.9(3) . . . . ?
Dy1 O5 C11 N4 146.6(3) . . . . ?
Dy1 O5 C11 C1 -32.5(5) . . . . ?
Dy1 O3 C34 C16 -57.9(5) . . . . ?
Dy1 O2 C5 C27 -41.4(4) . . . . ?
Dy1 O1 C7 C17 36.9(6) . . . . ?
Dy1 O1 C7 C24 -143.5(4) . . . . ?
Dy1 N3 C1 C11 12.8(5) . . . . ?
Dy1 N3 C1 C0AA -172.1(4) . . . . ?
Dy1 N3 C22 C15 -8.8(5) . . . . ?
Dy1 N3 C22 C33 171.5(4) . . . . ?
Dy1 N5 C15 C22 51.6(5) . . . . ?
Dy1 N5 C16 C34 -0.3(5) . . . . ?
Dy1 N5 C27 C5 -50.3(5) . . . . ?
Dy1 N6 C23 C17 -4.6(8) . . . . ?
Dy2 O6 C6 N1 155.6(3) . . . . ?
Dy2 O6 C6 C4 -30.4(5) . . . . ?
Dy2 O7 C14 C32 22.5(6) . . . . ?
Dy2 O5 C11 N4 -7.7(6) . . . . ?
Dy2 O5 C11 C1 173.2(3) . . . . ?
Dy2 O9 C10 C8 -11.8(7) . . . . ?
Dy2 O9 C10 C18 170.0(3) . . . . ?
Dy2 O8 C25 C21 -29.0(5) . . . . ?
Dy2 N2 N4 C11 7.5(2) . . . . ?
Dy2 N2 C3 C8 10.2(7) . . . . ?
Dy2 N7 C21 C25 -46.7(5) . . . . ?
Dy2 N7 C26 C2 49.0(4) . . . . ?
Dy2 N7 C32 C14 37.8(5) . . . . ?
O7 C14 C32 N7 -38.9(6) . . . . ?
O9 C10 C18 O10 6.2(7) . . . . ?
O9 C10 C18 C31 -176.2(5) . . . . ?
O2 C5 C27 N5 62.8(5) . . . . ?
O1 C7 C17 C20 179.9(4) . . . . ?
O1 C7 C17 C23 -2.2(8) . . . . ?
O1 C7 C24 O11 1.3(7) . . . . ?
O1 C7 C24 C30 179.6(5) . . . . ?
O10 C18 C31 C37 174.4(5) . . . . ?
N1 N6 C23 C17 -178.3(4) . . . . ?
N2 N4 C11 O5 -0.3(6) . . . . ?
N2 N4 C11 C1 178.7(3) . . . . ?
N2 C3 C8 C10 2.9(9) . . . . ?
N2 C3 C8 C35 -178.8(5) . . . . ?
O11 C24 C30 C29 178.4(5) . . . . ?
N3 C1 C11 O5 12.1(6) . . . . ?
N3 C1 C11 N4 -167.0(3) . . . . ?
N3 C1 C0AA C28 0.6(8) . . . . ?
N3 C22 C33 C28 0.4(8) . . . . ?
N4 N2 C3 C8 179.1(4) . . . . ?
N5 C15 C22 N3 -29.9(6) . . . . ?
N5 C15 C22 C33 149.7(5) . . . . ?
N5 C16 C34 O3 35.9(6) . . . . ?
N6 N1 C6 O6 0.8(6) . . . . ?
N6 N1 C6 C4 -173.0(4) . . . . ?
N7 C21 C25 O8 50.7(5) . . . . ?
C1 N3 C22 C15 176.1(4) . . . . ?
C1 N3 C22 C33 -3.5(6) . . . . ?
C3 N2 N4 C11 -163.0(3) . . . . ?
C3 C8 C10 O9 -4.0(8) . . . . ?
C3 C8 C10 C18 174.3(5) . . . . ?
C3 C8 C35 C37 -178.3(6) . . . . ?
C4 C13 C19 C41 -0.3(8) . . . . ?
C6 N1 N6 Dy1 2.4(3) . . . . ?
C6 N1 N6 C23 176.8(4) . . . . ?
C6 C4 C13 C19 169.4(5) . . . . ?
C6 C4 N9 Dy2 18.6(5) . . . . ?
C6 C4 N9 C2 -168.3(4) . . . . ?
C7 C17 C20 C29 0.8(8) . . . . ?
C7 C17 C23 N6 -11.0(8) . . . . ?
C7 C24 C30 C29 0.2(9) . . . . ?
C8 C10 C18 O10 -172.1(4) . . . . ?
C8 C10 C18 C31 5.4(8) . . . . ?
C8 C35 C37 C31 2.7(10) . . . . ?
C10 C8 C35 C37 0.1(9) . . . . ?
C10 C18 C31 C37 -2.8(9) . . . . ?
C11 C1 C0AA C28 175.3(5) . . . . ?
C13 C4 C6 O6 -166.0(5) . . . . ?
C13 C4 C6 N1 8.5(7) . . . . ?
C13 C4 N9 Dy2 -167.8(4) . . . . ?
C13 C4 N9 C2 5.3(7) . . . . ?
C13 C19 C41 C2 2.3(8) . . . . ?
C15 N5 C16 C34 120.2(5) . . . . ?
C15 N5 C27 C5 -168.0(4) . . . . ?
C15 C22 C33 C28 -179.2(5) . . . . ?
C16 N5 C15 C22 -69.0(5) . . . . ?
C16 N5 C27 C5 68.5(5) . . . . ?
C17 C7 C24 O11 -179.1(4) . . . . ?
C17 C7 C24 C30 -0.7(8) . . . . ?
C17 C20 C29 C30 -1.4(8) . . . . ?
C18 C31 C37 C35 -1.4(10) . . . . ?
C20 C17 C23 N6 167.0(5) . . . . ?
C20 C29 C30 C24 0.9(8) . . . . ?
C21 N7 C26 C2 166.5(4) . . . . ?
C21 N7 C32 C14 -83.5(5) . . . . ?
C22 N3 C1 C11 -172.1(4) . . . . ?
C22 N3 C1 C0AA 3.0(6) . . . . ?
C23 C17 C20 C29 -177.2(5) . . . . ?
C24 C7 C17 C20 0.2(7) . . . . ?
C24 C7 C17 C23 178.1(5) . . . . ?
C26 N7 C21 C25 -163.5(4) . . . . ?
C26 N7 C32 C14 155.9(4) . . . . ?
C26 C2 N9 Dy2 -10.5(6) . . . . ?
C26 C2 N9 C4 176.6(4) . . . . ?
C26 C2 C41 C19 179.6(5) . . . . ?
C27 N5 C15 C22 168.2(4) . . . . ?
C27 N5 C16 C34 -118.0(5) . . . . ?
C32 N7 C21 C25 75.9(5) . . . . ?
C32 N7 C26 C2 -71.0(5) . . . . ?
C33 C28 C0AA C1 -3.8(8) . . . . ?
C35 C8 C10 O9 177.7(5) . . . . ?
C35 C8 C10 C18 -4.0(8) . . . . ?
C36 O10 C18 C10 168.8(4) . . . . ?
C36 O10 C18 C31 -8.7(7) . . . . ?
C39 O11 C24 C7 167.0(6) . . . . ?
C39 O11 C24 C30 -11.3(8) . . . . ?
N9 C2 C26 N7 -28.3(6) . . . . ?
N9 C2 C41 C19 -0.6(8) . . . . ?
N9 C4 C6 O6 7.5(6) . . . . ?
N9 C4 C6 N1 -178.1(4) . . . . ?
N9 C4 C13 C19 -3.6(8) . . . . ?
C41 C2 C26 N7 151.5(5) . . . . ?
C41 C2 N9 Dy2 169.7(4) . . . . ?
C41 C2 N9 C4 -3.2(7) . . . . ?
C0AA C1 C11 O5 -162.9(5) . . . . ?
C0AA C1 C11 N4 18.0(8) . . . . ?
C0AA C28 C33 C22 3.3(8) . . . . ?
