#------------------------------------------------------------------------------
#$Date: 2022-02-11 04:12:17 +0200 (Fri, 11 Feb 2022) $
#$Revision: 272914 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/43/7244384.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_7244384
loop_
_publ_author_name
'Dais, Tyson N.'
'Takano, Rina'
'Ishida, Takayuki'
'Plieger, Paul G.'
_publ_section_title
;
 Lanthanide induced variability in localised CoII geometries of four
 triangular L3Co3IILnIII complexes
;
_journal_issue                   8
_journal_name_full               'RSC Advances'
_journal_page_first              4828
_journal_page_last               4835
_journal_paper_doi               10.1039/D1RA08797E
_journal_volume                  12
_journal_year                    2022
_chemical_formula_moiety         'C41 H40 Co3 Dy N2 O24, N O3'
_chemical_formula_sum            'C41 H40 Co3 Dy N3 O27'
_chemical_formula_weight         1346.05
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2021-08-25
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2021-08-25 deposited with the CCDC.	2022-02-02 downloaded from the CCDC.
;
_cell_angle_alpha                91.217(7)
_cell_angle_beta                 91.740(6)
_cell_angle_gamma                116.345(6)
_cell_formula_units_Z            2
_cell_length_a                   10.2212(8)
_cell_length_b                   11.0914(10)
_cell_length_c                   22.1617(19)
_cell_measurement_reflns_used    4818
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      68.13
_cell_measurement_theta_min      3.99
_cell_volume                     2248.7(4)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1035
_diffrn_reflns_av_unetI/netI     0.1359
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            22277
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.236
_diffrn_reflns_theta_min         1.996
_exptl_absorpt_coefficient_mu    18.174
_exptl_absorpt_correction_T_max  0.7540
_exptl_absorpt_correction_T_min  0.5193
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1125 before and 0.0599 after correction.
The Ratio of minimum to maximum transmission is 0.6887.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.988
_exptl_crystal_description       block
_exptl_crystal_F_000             1340
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.385
_refine_diff_density_min         -1.642
_refine_diff_density_rms         0.211
_refine_ls_extinction_coef       0.0023(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     698
_refine_ls_number_reflns         8044
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1414
_refine_ls_R_factor_gt           0.0873
_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)+(0.1066P)²+21.7445P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2074
_refine_ls_wR_factor_ref         0.2413
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5021
_reflns_number_total             8044
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ra08797e2.cif
_cod_data_source_block           tnd525a2
_cod_original_cell_volume        2248.7(3)
_cod_database_code               7244384
_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.
;
_shelx_estimated_absorpt_t_max   0.185
_shelx_estimated_absorpt_t_min   0.138
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O16-H16
 0.87 with sigma of 0.01
 O24-H24
 0.87 with sigma of 0.01
 O14-H14
 0.87 with sigma of 0.01
 O13-H13
 0.87 with sigma of 0.01
 O20-H20
 0.87 with sigma of 0.01
 Dy1-H24
 2.780927 with sigma of 0.02
 Co2-H13
 2.749258 with sigma of 0.02
 Co2-H14
 2.837201 with sigma of 0.02
 Co4-H20
 2.81928 with sigma of 0.02
 C61-H14
 1.943423 with sigma of 0.02
 C60-H13
 1.916542 with sigma of 0.02
 C62-H16
 1.894298 with sigma of 0.02
 C63-H20
 1.95254 with sigma of 0.02
 Co3-H16
 2.747829 with sigma of 0.02
 C64-H24
 1.936981 with sigma of 0.02
3.a Rotating group:
 O15(H15a,H15b)
3.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C11(H11), C52(H52), C46(H46), C6(H6), C29(H29), C8(H8), C9(H9),
 C51(H51), C32(H32), C26(H26), C27(H27), C28(H28), C12(H12), C47(H47), C48(H48),
  C31(H31), C49(H49)
3.c Idealised Me refined as rotating group:
 C61(H61a,H61b,H61c), C64(H64a,H64b,H64c), C60(H60a,H60b,H60c), C62(H62a,H62b,
 H62c), C63(H63a,H63b,H63c)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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 0.22352(8) 0.70244(8) 0.73811(3) 0.0267(3) Uani 1 1 d D . . . .
Co2 Co 0.2514(2) 0.7119(2) 0.90037(9) 0.0282(5) Uani 1 1 d D . . . .
Co3 Co 0.3963(2) 0.5388(2) 0.65083(9) 0.0294(5) Uani 1 1 d D . . . .
Co4 Co -0.0137(2) 0.8185(2) 0.66020(9) 0.0282(5) Uani 1 1 d D . . . .
O10 O 0.0619(9) 0.8088(9) 0.7438(4) 0.027(2) Uani 1 1 d . . . . .
O3 O 0.2836(9) 0.5116(8) 0.7276(4) 0.0244(19) Uani 1 1 d . . . . .
O22 O 0.3847(10) 0.9430(8) 0.7269(4) 0.026(2) Uani 1 1 d . . . . .
O11 O 0.2290(9) 0.8177(8) 0.8314(4) 0.027(2) Uani 1 1 d . . . . .
O2 O 0.2295(9) 0.5841(9) 0.8294(4) 0.032(2) Uani 1 1 d . . . . .
O16 O 0.2254(10) 0.4231(9) 0.5859(4) 0.033(2) Uani 1 1 d D . . . .
H16 H 0.225(7) 0.360(10) 0.561(5) 0.049 Uiso 1 1 d D U . . .
O23 O 0.6087(10) 1.0425(9) 0.7562(4) 0.030(2) Uani 1 1 d . . . . .
O1 O 0.2376(10) 0.5648(9) 0.9558(4) 0.032(2) Uani 1 1 d . . . . .
O12 O 0.2964(9) 0.8757(9) 0.9555(4) 0.031(2) Uani 1 1 d . . . . .
O25 O 0.6162(10) 0.6679(10) 0.8283(4) 0.039(2) Uani 1 1 d . . . . .
O24 O -0.0099(9) 0.5211(9) 0.7295(4) 0.030(2) Uani 1 1 d D . . . .
H24 H -0.073(4) 0.546(4) 0.714(6) 0.045 Uiso 1 1 d D U . . .
O14 O 0.0211(9) 0.6412(9) 0.9144(4) 0.033(2) Uani 1 1 d D . . . .
H14 H -0.035(3) 0.682(3) 0.910(5) 0.049 Uiso 1 1 d D U . . .
O6 O 0.3439(10) 0.6952(9) 0.6480(4) 0.031(2) Uani 1 1 d . . . . .
O7 O 0.1281(9) 0.7471(9) 0.6427(4) 0.029(2) Uani 1 1 d . . . . .
O13 O 0.4822(10) 0.7689(9) 0.9047(4) 0.035(2) Uani 1 1 d D . . . .
H13 H 0.520(2) 0.715(3) 0.895(6) 0.052 Uiso 1 1 d D U . . .
O15 O 0.5940(10) 0.6393(10) 0.7060(4) 0.034(2) Uani 1 1 d . . . . .
H15A H 0.571977 0.639816 0.743622 0.051 Uiso 1 1 d R U . . .
H15B H 0.636997 0.723942 0.697410 0.051 Uiso 1 1 d R U . . .
O9 O -0.1518(9) 0.8818(9) 0.6962(4) 0.032(2) Uani 1 1 d . . . . .
O8 O -0.0507(10) 0.8280(10) 0.5719(4) 0.036(2) Uani 1 1 d . . . . .
O17 O 0.1572(10) 1.0220(9) 0.6540(4) 0.036(2) Uani 1 1 d . . . . .
O20 O -0.1813(9) 0.6091(9) 0.6612(4) 0.035(2) Uani 1 1 d D . . . .
H20 H -0.255(6) 0.578(4) 0.685(3) 0.052 Uiso 1 1 d D U . . .
O21 O 0.4851(9) 0.8286(9) 0.7646(4) 0.031(2) Uani 1 1 d . . . . .
O4 O 0.4095(10) 0.3645(10) 0.6636(4) 0.035(2) Uani 1 1 d . . . . .
N1 N 0.4906(14) 0.9388(12) 0.7482(5) 0.031(3) Uani 1 1 d . . . . .
O5 O 0.5344(11) 0.6306(11) 0.5834(5) 0.046(3) Uani 1 1 d . . . . .
O18 O 0.0650(12) 1.1642(11) 0.6630(5) 0.052(3) Uani 1 1 d . . . . .
O19 O 0.1683(12) 1.1543(11) 0.5799(5) 0.047(3) Uani 1 1 d . . . . .
O26 O 0.8043(11) 0.6251(12) 0.8167(6) 0.061(3) Uani 1 1 d . . . . .
N2 N 0.1289(12) 1.1136(11) 0.6322(6) 0.035(3) Uani 1 1 d . . . . .
C1 C 0.3163(12) 0.4490(12) 0.8846(5) 0.019(3) Uani 1 1 d . . . . .
N3 N 0.7339(14) 0.6644(12) 0.8506(6) 0.043(3) Uani 1 1 d . . . . .
C24 C 0.1777(14) 0.8276(13) 0.5400(6) 0.029(3) Uani 1 1 d . . . . .
C4 C 0.3747(15) 0.3638(14) 0.7707(6) 0.032(3) Uani 1 1 d . . . . .
C7 C 0.5440(13) 0.2073(13) 0.8754(6) 0.031(3) Uani 1 1 d . . . . .
H7 H 0.595228 0.154043 0.872568 0.037 Uiso 1 1 calc R U . . .
C3 C 0.3177(13) 0.4553(12) 0.7733(6) 0.026(3) Uani 1 1 d . . . . .
C22 C 0.3275(14) 0.7406(12) 0.5948(5) 0.024(3) Uani 1 1 d . . . . .
O27 O 0.7677(14) 0.6983(12) 0.9046(6) 0.066(4) Uani 1 1 d . . . . .
C11 C 0.2770(14) 0.4784(14) 0.9428(6) 0.032(3) Uani 1 1 d . . . . .
H11 H 0.282068 0.424843 0.974859 0.039 Uiso 1 1 calc R U . . .
C52 C 0.2452(15) 0.9559(14) 0.9453(6) 0.030(3) Uani 1 1 d . . . . .
H52 H 0.263169 1.021855 0.976646 0.036 Uiso 1 1 calc R U . . .
C21 C 0.4110(15) 0.7543(14) 0.5450(6) 0.031(3) Uani 1 1 d . . . . .
C5 C 0.4177(14) 0.3190(13) 0.8259(5) 0.026(3) Uani 1 1 d . . . . .
C44 C 0.1627(14) 0.9643(13) 0.8934(6) 0.029(3) Uani 1 1 d . . . . .
C2 C 0.2896(14) 0.4982(13) 0.8319(6) 0.028(3) Uani 1 1 d . . . . .
C45 C 0.0813(13) 1.0410(13) 0.8978(6) 0.024(3) Uani 1 1 d . . . . .
C50 C -0.0038(15) 1.0421(13) 0.8467(6) 0.030(3) Uani 1 1 d . . . . .
C10 C 0.3915(14) 0.3614(14) 0.8825(6) 0.032(3) Uani 1 1 d . . . . .
C46 C 0.0835(15) 1.1151(13) 0.9502(6) 0.031(3) Uani 1 1 d . . . . .
H46 H 0.142631 1.116685 0.984406 0.037 Uiso 1 1 calc R U . . .
C43 C 0.1575(13) 0.8927(12) 0.8399(6) 0.026(3) Uani 1 1 d . . . . .
C6 C 0.4938(16) 0.2419(14) 0.8240(6) 0.037(3) Uani 1 1 d . . . . .
H6 H 0.511411 0.212368 0.785865 0.044 Uiso 1 1 calc R U . . .
C29 C 0.4734(16) 0.8407(13) 0.4408(6) 0.033(3) Uani 1 1 d . . . . .
H29 H 0.549364 0.813381 0.441541 0.040 Uiso 1 1 calc R U . . .
C8 C 0.5210(15) 0.2492(15) 0.9315(7) 0.037(3) Uani 1 1 d . . . . .
H8 H 0.556009 0.224174 0.966912 0.045 Uiso 1 1 calc R U . . .
C61 C -0.0694(16) 0.4972(13) 0.9135(7) 0.038(3) Uani 1 1 d D . . . .
H61A H -0.040427 0.454091 0.880972 0.056 Uiso 1 1 calc R U . . .
H61B H -0.172109 0.477978 0.906608 0.056 Uiso 1 1 calc R U . . .
H61C H -0.057132 0.461893 0.952328 0.056 Uiso 1 1 calc R U . . .
C23 C 0.2051(15) 0.7756(13) 0.5930(6) 0.029(3) Uani 1 1 d . . . . .
C41 C -0.0154(14) 0.9657(13) 0.7927(6) 0.027(3) Uani 1 1 d . . . . .
C64 C -0.0823(15) 0.3796(14) 0.7415(8) 0.046(4) Uani 1 1 d D . . . .
H64A H -0.119571 0.327282 0.703318 0.069 Uiso 1 1 calc R U . . .
H64B H -0.163784 0.362167 0.767707 0.069 Uiso 1 1 calc R U . . .
H64C H -0.012701 0.353240 0.761551 0.069 Uiso 1 1 calc R U . . .
C42 C 0.0662(13) 0.8885(12) 0.7892(6) 0.025(3) Uani 1 1 d . . . . .
C9 C 0.4466(16) 0.3282(14) 0.9363(7) 0.039(4) Uani 1 1 d . . . . .
H9 H 0.432904 0.359205 0.974749 0.047 Uiso 1 1 calc R U . . .
C51 C -0.1278(14) 0.9447(13) 0.7462(6) 0.030(3) Uani 1 1 d . . . . .
H51 H -0.191399 0.983904 0.754815 0.036 Uiso 1 1 calc R U . . .
C32 C 0.0433(14) 0.8428(14) 0.5325(6) 0.032(3) Uani 1 1 d . . . . .
H32 H 0.023425 0.866507 0.493553 0.038 Uiso 1 1 calc R U . . .
C25 C 0.2677(15) 0.8522(14) 0.4908(6) 0.033(3) Uani 1 1 d . . . . .
C26 C 0.2527(15) 0.9200(14) 0.4387(6) 0.034(3) Uani 1 1 d . . . . .
H26 H 0.179473 0.950666 0.437692 0.041 Uiso 1 1 calc R U . . .
C27 C 0.3389(16) 0.9422(15) 0.3906(6) 0.040(4) Uani 1 1 d . . . . .
H27 H 0.322792 0.984222 0.356128 0.048 Uiso 1 1 calc R U . . .
C60 C 0.5984(15) 0.9052(12) 0.9086(7) 0.038(3) Uani 1 1 d D . . . .
H60A H 0.609691 0.944617 0.868804 0.058 Uiso 1 1 calc R U . . .
H60B H 0.690024 0.903919 0.922009 0.058 Uiso 1 1 calc R U . . .
H60C H 0.574166 0.959298 0.937639 0.058 Uiso 1 1 calc R U . . .
C28 C 0.4542(16) 0.9018(15) 0.3920(7) 0.043(4) Uani 1 1 d . . . . .
H28 H 0.516105 0.918139 0.358904 0.051 Uiso 1 1 calc R U . . .
C12 C 0.3972(14) 0.3126(15) 0.7129(7) 0.036(3) Uani 1 1 d . . . . .
H12 H 0.403073 0.229472 0.713346 0.043 Uiso 1 1 calc R U . . .
C30 C 0.3833(16) 0.8152(14) 0.4917(6) 0.032(3) Uani 1 1 d . . . . .
C47 C 0.0015(16) 1.1861(15) 0.9531(7) 0.043(4) Uani 1 1 d . . . . .
H47 H 0.001545 1.232472 0.989660 0.052 Uiso 1 1 calc R U . . .
C48 C -0.0788(14) 1.1897(15) 0.9041(6) 0.037(3) Uani 1 1 d . . . . .
H48 H -0.133850 1.239582 0.906170 0.044 Uiso 1 1 calc R U . . .
C31 C 0.5191(18) 0.7077(17) 0.5468(8) 0.051(4) Uani 1 1 d . . . . .
H31 H 0.588677 0.738844 0.516285 0.061 Uiso 1 1 calc R U . . .
C49 C -0.0808(15) 1.1218(14) 0.8516(7) 0.039(4) Uani 1 1 d . . . . .
H49 H -0.135343 1.127936 0.817288 0.047 Uiso 1 1 calc R U . . .
C62 C 0.0923(16) 0.4285(15) 0.5811(7) 0.043(4) Uani 1 1 d D . . . .
H62A H 0.079531 0.457306 0.540719 0.065 Uiso 1 1 calc R U . . .
H62B H 0.090619 0.492951 0.611619 0.065 Uiso 1 1 calc R U . . .
H62C H 0.012860 0.339150 0.587425 0.065 Uiso 1 1 calc R U . . .
C63 C -0.2202(17) 0.5180(17) 0.6074(7) 0.051(4) Uani 1 1 d D . . . .
H63A H -0.272796 0.545511 0.577306 0.077 Uiso 1 1 calc R U . . .
H63B H -0.282597 0.425701 0.618804 0.077 Uiso 1 1 calc R U . . .
H63C H -0.130977 0.522248 0.590352 0.077 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'
Co Co -2.3653 3.6143 '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
O10 Dy1 O3 155.3(3) . . ?
O10 Dy1 O22 75.7(3) . . ?
O10 Dy1 O2 113.1(3) . . ?
O10 Dy1 O7 62.4(3) . . ?
O10 Dy1 O21 121.1(3) . . ?
O10 Dy1 N1 97.6(3) . . ?
O3 Dy1 N1 107.0(3) . . ?
O22 Dy1 O3 128.2(3) . . ?
O22 Dy1 N1 24.8(3) . . ?
O11 Dy1 O10 63.0(3) . . ?
O11 Dy1 O3 125.1(3) . . ?
O11 Dy1 O22 72.4(3) . . ?
O11 Dy1 O2 64.7(3) . . ?
O11 Dy1 O6 148.2(3) . . ?
O11 Dy1 O7 122.5(3) . . ?
O11 Dy1 O21 76.6(3) . . ?
O11 Dy1 N1 72.3(3) . . ?
O2 Dy1 O3 62.2(3) . . ?
O2 Dy1 O22 122.5(3) . . ?
O2 Dy1 O7 158.4(3) . . ?
O2 Dy1 N1 103.2(3) . . ?
O24 Dy1 O10 76.4(3) . . ?
O24 Dy1 O3 78.9(3) . . ?
O24 Dy1 O22 149.6(3) . . ?
O24 Dy1 O11 105.0(3) . . ?
O24 Dy1 O2 79.9(3) . . ?
O24 Dy1 O6 106.6(3) . . ?
O24 Dy1 O7 78.5(3) . . ?
O24 Dy1 O21 159.0(3) . . ?
O24 Dy1 N1 174.1(3) . . ?
O6 Dy1 O10 122.7(3) . . ?
O6 Dy1 O3 64.7(3) . . ?
O6 Dy1 O22 78.9(3) . . ?
O6 Dy1 O2 123.8(3) . . ?
O6 Dy1 O7 62.5(3) . . ?
O6 Dy1 O21 74.8(3) . . ?
O6 Dy1 N1 76.0(3) . . ?
O7 Dy1 O3 112.1(3) . . ?
O7 Dy1 O22 78.0(3) . . ?
O7 Dy1 N1 98.3(3) . . ?
O21 Dy1 O3 83.2(3) . . ?
O21 Dy1 O22 51.3(3) . . ?
O21 Dy1 O2 82.1(3) . . ?
O21 Dy1 O7 118.8(3) . . ?
O21 Dy1 N1 26.5(3) . . ?
O11 Co2 O2 79.7(3) . . ?
O11 Co2 O1 165.1(4) . . ?
O11 Co2 O12 87.7(3) . . ?
O11 Co2 O14 88.0(3) . . ?
O11 Co2 O13 103.1(4) . . ?
O2 Co2 O12 165.4(4) . . ?
O2 Co2 O14 97.0(4) . . ?
O2 Co2 O13 88.6(3) . . ?
O1 Co2 O2 87.9(4) . . ?
O1 Co2 O12 105.5(4) . . ?
O1 Co2 O14 85.3(4) . . ?
O1 Co2 O13 84.7(4) . . ?
O12 Co2 O14 89.7(3) . . ?
O12 Co2 O13 87.2(4) . . ?
O13 Co2 O14 168.3(4) . . ?
O3 Co3 O16 101.5(4) . . ?
O3 Co3 O15 87.8(3) . . ?
O3 Co3 O5 161.1(4) . . ?
O16 Co3 O15 168.2(3) . . ?
O6 Co3 O3 79.4(3) . . ?
O6 Co3 O16 91.8(3) . . ?
O6 Co3 O15 97.0(4) . . ?
O6 Co3 O5 85.9(4) . . ?
O4 Co3 O3 89.8(3) . . ?
O4 Co3 O16 84.9(4) . . ?
O4 Co3 O6 167.8(4) . . ?
O4 Co3 O15 88.0(4) . . ?
O4 Co3 O5 105.8(4) . . ?
O5 Co3 O16 90.8(4) . . ?
O5 Co3 O15 82.2(4) . . ?
O10 Co4 O9 89.4(3) . . ?
O10 Co4 O17 90.3(4) . . ?
O10 Co4 O20 91.7(4) . . ?
O7 Co4 O10 78.6(3) . . ?
O7 Co4 O9 167.8(4) . . ?
O7 Co4 O8 90.3(4) . . ?
O7 Co4 O17 90.0(4) . . ?
O7 Co4 O20 87.3(4) . . ?
O9 Co4 O17 92.7(4) . . ?
O9 Co4 O20 90.4(4) . . ?
O8 Co4 O10 168.2(4) . . ?
O8 Co4 O9 101.8(4) . . ?
O8 Co4 O17 85.5(4) . . ?
O8 Co4 O20 92.0(4) . . ?
O17 Co4 O20 176.3(4) . . ?
Co4 O10 Dy1 109.3(4) . . ?
C42 O10 Dy1 123.3(8) . . ?
C42 O10 Co4 123.2(8) . . ?
Co3 O3 Dy1 106.6(3) . . ?
C3 O3 Dy1 124.3(7) . . ?
C3 O3 Co3 118.6(7) . . ?
N1 O22 Dy1 95.0(8) . . ?
Co2 O11 Dy1 108.9(3) . . ?
C43 O11 Dy1 124.3(7) . . ?
C43 O11 Co2 119.0(8) . . ?
Co2 O2 Dy1 106.2(4) . . ?
C2 O2 Dy1 122.9(8) . . ?
C2 O2 Co2 121.2(8) . . ?
Co3 O16 H16 125.1(18) . . ?
C62 O16 Co3 124.1(8) . . ?
C62 O16 H16 110.5(19) . . ?
C11 O1 Co2 124.0(9) . . ?
C52 O12 Co2 122.4(9) . . ?
Dy1 O24 H24 110.7(16) . . ?
C64 O24 Dy1 139.6(7) . . ?
C64 O24 H24 109.7(16) . . ?
Co2 O14 H14 131(2) . . ?
C61 O14 Co2 117.6(7) . . ?
C61 O14 H14 109(2) . . ?
Co3 O6 Dy1 109.1(4) . . ?
C22 O6 Dy1 126.3(7) . . ?
C22 O6 Co3 119.1(7) . . ?
Co4 O7 Dy1 109.2(3) . . ?
C23 O7 Dy1 121.8(7) . . ?
C23 O7 Co4 122.8(8) . . ?
Co2 O13 H13 124(2) . . ?
C60 O13 Co2 126.1(8) . . ?
C60 O13 H13 108(2) . . ?
Co3 O15 H15A 109.2 . . ?
Co3 O15 H15B 109.3 . . ?
H15A O15 H15B 104.5 . . ?
C51 O9 Co4 123.7(8) . . ?
C32 O8 Co4 123.4(8) . . ?
N2 O17 Co4 120.7(8) . . ?
Co4 O20 H20 126(2) . . ?
C63 O20 Co4 121.9(9) . . ?
C63 O20 H20 108(2) . . ?
N1 O21 Dy1 93.4(7) . . ?
C12 O4 Co3 123.6(9) . . ?
O22 N1 Dy1 60.2(7) . . ?
O22 N1 O23 121.5(11) . . ?
O22 N1 O21 120.3(12) . . ?
O23 N1 Dy1 176.3(8) . . ?
O23 N1 O21 118.2(11) . . ?
O21 N1 Dy1 60.1(7) . . ?
C31 O5 Co3 125.2(9) . . ?
O18 N2 O17 119.7(12) . . ?
O18 N2 O19 120.4(11) . . ?
O19 N2 O17 120.0(12) . . ?
C11 C1 C10 117.1(11) . . ?
C2 C1 C11 123.7(11) . . ?
C2 C1 C10 119.1(11) . . ?
O26 N3 O25 118.4(13) . . ?
O27 N3 O25 117.5(13) . . ?
O27 N3 O26 124.0(13) . . ?
C23 C24 C32 119.5(12) . . ?
C23 C24 C25 121.7(12) . . ?
C25 C24 C32 118.4(12) . . ?
C3 C4 C5 120.5(12) . . ?
C3 C4 C12 121.0(13) . . ?
C12 C4 C5 118.5(11) . . ?
C6 C7 H7 119.7 . . ?
C6 C7 C8 120.6(13) . . ?
C8 C7 H7 119.7 . . ?
O3 C3 C4 127.3(12) . . ?
O3 C3 C2 113.6(11) . . ?
C4 C3 C2 119.1(12) . . ?
O6 C22 C21 126.6(11) . . ?
O6 C22 C23 111.9(11) . . ?
C21 C22 C23 121.5(11) . . ?
O1 C11 C1 127.2(13) . . ?
O1 C11 H11 116.4 . . ?
C1 C11 H11 116.4 . . ?
O12 C52 H52 115.1 . . ?
O12 C52 C44 129.8(12) . . ?
C44 C52 H52 115.1 . . ?
C22 C21 C30 118.7(11) . . ?
C22 C21 C31 119.6(12) . . ?
C31 C21 C30 121.6(13) . . ?
C10 C5 C4 120.1(12) . . ?
C6 C5 C4 121.2(12) . . ?
C6 C5 C10 118.6(12) . . ?
C45 C44 C52 119.5(12) . . ?
C43 C44 C52 119.6(12) . . ?
C43 C44 C45 120.9(12) . . ?
O2 C2 C1 123.6(11) . . ?
O2 C2 C3 114.4(11) . . ?
C1 C2 C3 121.9(11) . . ?
C50 C45 C44 118.0(11) . . ?
C46 C45 C44 123.1(12) . . ?
C46 C45 C50 118.9(11) . . ?
C45 C50 C41 122.0(11) . . ?
C45 C50 C49 117.0(12) . . ?
C41 C50 C49 120.9(13) . . ?
C5 C10 C1 118.6(12) . . ?
C5 C10 C9 119.8(12) . . ?
C9 C10 C1 121.5(12) . . ?
C45 C46 H46 119.3 . . ?
C47 C46 C45 121.4(13) . . ?
C47 C46 H46 119.3 . . ?
O11 C43 C44 125.3(12) . . ?
O11 C43 C42 113.4(11) . . ?
C44 C43 C42 121.3(12) . . ?
C7 C6 C5 121.8(13) . . ?
C7 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
C28 C29 H29 118.9 . . ?
C28 C29 C30 122.2(13) . . ?
C30 C29 H29 118.9 . . ?
C7 C8 H8 119.9 . . ?
C7 C8 C9 120.3(13) . . ?
C9 C8 H8 119.9 . . ?
O14 C61 H61A 109.5 . . ?
O14 C61 H61B 109.5 . . ?
O14 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
O7 C23 C24 127.6(12) . . ?
O7 C23 C22 114.5(10) . . ?
C24 C23 C22 117.8(12) . . ?
C50 C41 C42 119.2(12) . . ?
C50 C41 C51 120.5(11) . . ?
C42 C41 C51 119.3(11) . . ?
O24 C64 H64A 109.5 . . ?
O24 C64 H64B 109.5 . . ?
O24 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
O10 C42 C43 115.1(11) . . ?
O10 C42 C41 126.3(12) . . ?
C43 C42 C41 118.6(11) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 C10 118.9(14) . . ?
C8 C9 H9 120.5 . . ?
O9 C51 C41 128.6(11) . . ?
O9 C51 H51 115.7 . . ?
C41 C51 H51 115.7 . . ?
O8 C32 C24 127.9(12) . . ?
O8 C32 H32 116.0 . . ?
C24 C32 H32 116.0 . . ?
C24 C25 C26 122.8(12) . . ?
C24 C25 C30 120.6(12) . . ?
C30 C25 C26 116.5(12) . . ?
C25 C26 H26 118.6 . . ?
C27 C26 C25 122.8(12) . . ?
C27 C26 H26 118.6 . . ?
C26 C27 H27 120.1 . . ?
C26 C27 C28 119.7(13) . . ?
C28 C27 H27 120.1 . . ?
O13 C60 H60A 109.5 . . ?
O13 C60 H60B 109.5 . . ?
O13 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C29 C28 C27 119.0(14) . . ?
C29 C28 H28 120.5 . . ?
C27 C28 H28 120.5 . . ?
O4 C12 C4 127.5(13) . . ?
O4 C12 H12 116.3 . . ?
C4 C12 H12 116.3 . . ?
C29 C30 C21 120.9(12) . . ?
C25 C30 C21 119.4(12) . . ?
C25 C30 C29 119.7(12) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 C46 120.2(14) . . ?
C48 C47 H47 119.9 . . ?
C47 C48 H48 119.9 . . ?
C47 C48 C49 120.2(13) . . ?
C49 C48 H48 119.9 . . ?
O5 C31 C21 127.9(14) . . ?
O5 C31 H31 116.0 . . ?
C21 C31 H31 116.0 . . ?
C50 C49 H49 119.0 . . ?
C48 C49 C50 122.1(14) . . ?
C48 C49 H49 119.0 . . ?
O16 C62 H62A 109.5 . . ?
O16 C62 H62B 109.5 . . ?
O16 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
O20 C63 H63A 109.5 . . ?
O20 C63 H63B 109.5 . . ?
O20 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 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 O10 2.424(8) . ?
Dy1 O3 2.460(8) . ?
Dy1 O22 2.459(9) . ?
Dy1 O11 2.393(8) . ?
Dy1 O2 2.450(9) . ?
Dy1 O24 2.339(9) . ?
Dy1 O6 2.396(8) . ?
Dy1 O7 2.453(8) . ?
Dy1 O21 2.450(9) . ?
Dy1 N1 2.821(14) . ?
Co2 O11 2.015(9) . ?
Co2 O2 2.033(9) . ?
Co2 O1 2.020(9) . ?
Co2 O12 2.034(9) . ?
Co2 O14 2.161(9) . ?
Co2 O13 2.152(9) . ?
Co3 O3 2.036(9) . ?
Co3 O16 2.132(9) . ?
Co3 O6 2.031(9) . ?
Co3 O15 2.148(9) . ?
Co3 O4 2.021(9) . ?
Co3 O5 2.044(10) . ?
Co4 O10 2.010(9) . ?
Co4 O7 1.980(8) . ?
Co4 O9 2.011(9) . ?
Co4 O8 1.995(10) . ?
Co4 O17 2.166(10) . ?
Co4 O20 2.192(10) . ?
O10 C42 1.310(14) . ?
O3 C3 1.317(14) . ?
O22 N1 1.188(13) . ?
O11 C43 1.344(14) . ?
O2 C2 1.344(15) . ?
O16 H16 0.876(10) . ?
O16 C62 1.389(16) . ?
O23 N1 1.248(14) . ?
O1 C11 1.225(15) . ?
O12 C52 1.237(15) . ?
O25 N3 1.303(14) . ?
O24 H24 0.873(10) . ?
O24 C64 1.442(15) . ?
O14 H14 0.879(10) . ?
O14 C61 1.448(15) . ?
O6 C22 1.326(14) . ?
O7 C23 1.333(15) . ?
O13 H13 0.875(10) . ?
O13 C60 1.449(15) . ?
O15 H15A 0.8705 . ?
O15 H15B 0.8698 . ?
O9 C51 1.254(15) . ?
O8 C32 1.277(15) . ?
O17 N2 1.273(13) . ?
O20 H20 0.878(10) . ?
O20 C63 1.471(17) . ?
O21 N1 1.261(13) . ?
O4 C12 1.231(17) . ?
O5 C31 1.248(17) . ?
O18 N2 1.243(15) . ?
O19 N2 1.264(15) . ?
O26 N3 1.253(16) . ?
C1 C11 1.437(17) . ?
C1 C2 1.369(17) . ?
C1 C10 1.483(17) . ?
N3 O27 1.240(16) . ?
C24 C23 1.394(17) . ?
C24 C32 1.461(17) . ?
C24 C25 1.400(18) . ?
C4 C3 1.377(17) . ?
C4 C5 1.457(17) . ?
C4 C12 1.455(19) . ?
C7 H7 0.9500 . ?
C7 C6 1.367(18) . ?
C7 C8 1.379(19) . ?
C3 C2 1.454(17) . ?
C22 C21 1.385(18) . ?
C22 C23 1.465(17) . ?
C11 H11 0.9500 . ?
C52 H52 0.9500 . ?
C52 C44 1.436(18) . ?
C21 C30 1.455(17) . ?
C21 C31 1.412(19) . ?
C5 C10 1.406(18) . ?
C5 C6 1.389(18) . ?
C44 C45 1.434(17) . ?
C44 C43 1.398(17) . ?
C45 C50 1.412(17) . ?
C45 C46 1.401(17) . ?
C50 C41 1.422(17) . ?
C50 C49 1.425(17) . ?
C10 C9 1.426(19) . ?
C46 H46 0.9500 . ?
C46 C47 1.383(18) . ?
C43 C42 1.426(17) . ?
C6 H6 0.9500 . ?
C29 H29 0.9500 . ?
C29 C28 1.344(19) . ?
C29 C30 1.431(18) . ?
C8 H8 0.9500 . ?
C8 C9 1.396(19) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C41 C42 1.439(17) . ?
C41 C51 1.456(18) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C9 H9 0.9500 . ?
C51 H51 0.9500 . ?
C32 H32 0.9500 . ?
C25 C26 1.432(18) . ?
C25 C30 1.412(19) . ?
C26 H26 0.9500 . ?
C26 C27 1.361(19) . ?
C27 H27 0.9500 . ?
C27 C28 1.434(19) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C28 H28 0.9500 . ?
C12 H12 0.9500 . ?
C47 H47 0.9500 . ?
C47 C48 1.35(2) . ?
C48 H48 0.9500 . ?
C48 C49 1.367(19) . ?
C31 H31 0.9500 . ?
C49 H49 0.9500 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
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 O10 C42 C43 -9.3(14) . . . . ?
Dy1 O10 C42 C41 173.1(9) . . . . ?
Dy1 O3 C3 C4 -168.7(10) . . . . ?
Dy1 O3 C3 C2 11.3(14) . . . . ?
Dy1 O22 N1 O23 -176.2(9) . . . . ?
Dy1 O22 N1 O21 2.0(10) . . . . ?
Dy1 O11 C43 C44 -177.9(9) . . . . ?
Dy1 O11 C43 C42 5.1(14) . . . . ?
Dy1 O2 C2 C1 168.5(9) . . . . ?
Dy1 O2 C2 C3 -14.6(15) . . . . ?
Dy1 O6 C22 C21 170.2(10) . . . . ?
Dy1 O6 C22 C23 -10.5(15) . . . . ?
Dy1 O7 C23 C24 -166.6(10) . . . . ?
Dy1 O7 C23 C22 16.7(14) . . . . ?
Dy1 O21 N1 O22 -2.0(10) . . . . ?
Dy1 O21 N1 O23 176.3(9) . . . . ?
Co2 O11 C43 C44 36.4(15) . . . . ?
Co2 O11 C43 C42 -140.6(9) . . . . ?
Co2 O2 C2 C1 27.1(17) . . . . ?
Co2 O2 C2 C3 -156.0(8) . . . . ?
Co2 O1 C11 C1 -11.2(19) . . . . ?
Co2 O12 C52 C44 -8(2) . . . . ?
Co3 O3 C3 C4 -28.8(17) . . . . ?
Co3 O3 C3 C2 151.2(9) . . . . ?
Co3 O6 C22 C21 -38.9(17) . . . . ?
Co3 O6 C22 C23 140.4(9) . . . . ?
Co3 O4 C12 C4 -1(2) . . . . ?
Co3 O5 C31 C21 4(3) . . . . ?
Co4 O10 C42 C43 -163.8(8) . . . . ?
Co4 O10 C42 C41 18.7(17) . . . . ?
Co4 O7 C23 C24 -17.2(18) . . . . ?
Co4 O7 C23 C22 166.2(8) . . . . ?
Co4 O9 C51 C41 -12(2) . . . . ?
Co4 O8 C32 C24 14(2) . . . . ?
Co4 O17 N2 O18 75.6(13) . . . . ?
Co4 O17 N2 O19 -105.7(12) . . . . ?
O3 C3 C2 O2 2.1(16) . . . . ?
O3 C3 C2 C1 179.1(11) . . . . ?
O11 C43 C42 O10 2.7(15) . . . . ?
O11 C43 C42 C41 -179.6(10) . . . . ?
O12 C52 C44 C45 163.1(13) . . . . ?
O12 C52 C44 C43 -14(2) . . . . ?
O6 C22 C21 C30 -175.6(12) . . . . ?
O6 C22 C21 C31 5(2) . . . . ?
O6 C22 C23 O7 -4.4(16) . . . . ?
O6 C22 C23 C24 178.6(11) . . . . ?
C1 C10 C9 C8 -177.8(12) . . . . ?
C24 C25 C26 C27 -179.0(14) . . . . ?
C24 C25 C30 C21 -2(2) . . . . ?
C24 C25 C30 C29 179.6(13) . . . . ?
C4 C3 C2 O2 -177.9(12) . . . . ?
C4 C3 C2 C1 -0.9(19) . . . . ?
C4 C5 C10 C1 1.6(19) . . . . ?
C4 C5 C10 C9 -173.8(13) . . . . ?
C4 C5 C6 C7 175.2(13) . . . . ?
C7 C8 C9 C10 2(2) . . . . ?
C3 C4 C5 C10 5(2) . . . . ?
C3 C4 C5 C6 -170.9(13) . . . . ?
C3 C4 C12 O4 22(2) . . . . ?
C22 C21 C30 C29 175.4(13) . . . . ?
C22 C21 C30 C25 -3(2) . . . . ?
C22 C21 C31 O5 15(3) . . . . ?
C11 C1 C2 O2 3(2) . . . . ?
C11 C1 C2 C3 -173.7(12) . . . . ?
C11 C1 C10 C5 173.4(12) . . . . ?
C11 C1 C10 C9 -11.2(18) . . . . ?
C52 C44 C45 C50 -177.2(12) . . . . ?
C52 C44 C45 C46 3(2) . . . . ?
C52 C44 C43 O11 -3(2) . . . . ?
C52 C44 C43 C42 174.2(12) . . . . ?
C21 C22 C23 O7 175.0(12) . . . . ?
C21 C22 C23 C24 -2.0(19) . . . . ?
C5 C4 C3 O3 175.0(12) . . . . ?
C5 C4 C3 C2 -5(2) . . . . ?
C5 C4 C12 O4 -156.8(13) . . . . ?
C5 C10 C9 C8 -2(2) . . . . ?
C44 C45 C50 C41 3(2) . . . . ?
C44 C45 C50 C49 -178.4(12) . . . . ?
C44 C45 C46 C47 -178.9(13) . . . . ?
C44 C43 C42 O10 -174.4(11) . . . . ?
C44 C43 C42 C41 3.3(18) . . . . ?
C2 C1 C11 O1 -13(2) . . . . ?
C2 C1 C10 C5 -7.4(18) . . . . ?
C2 C1 C10 C9 168.0(13) . . . . ?
C45 C44 C43 O11 -179.7(11) . . . . ?
C45 C44 C43 C42 -2.9(19) . . . . ?
C45 C50 C41 C42 -2(2) . . . . ?
C45 C50 C41 C51 166.2(12) . . . . ?
C45 C50 C49 C48 -3(2) . . . . ?
C45 C46 C47 C48 -3(2) . . . . ?
C50 C45 C46 C47 2(2) . . . . ?
C50 C41 C42 O10 176.8(12) . . . . ?
C50 C41 C42 C43 -0.7(18) . . . . ?
C50 C41 C51 O9 179.1(13) . . . . ?
C10 C1 C11 O1 166.7(13) . . . . ?
C10 C1 C2 O2 -176.2(11) . . . . ?
C10 C1 C2 C3 7.2(18) . . . . ?
C10 C5 C6 C7 0(2) . . . . ?
C46 C45 C50 C41 -177.8(13) . . . . ?
C46 C45 C50 C49 1.1(19) . . . . ?
C46 C47 C48 C49 1(2) . . . . ?
C43 C44 C45 C50 -0.1(19) . . . . ?
C43 C44 C45 C46 -179.6(13) . . . . ?
C6 C7 C8 C9 0(2) . . . . ?
C6 C5 C10 C1 177.2(12) . . . . ?
C6 C5 C10 C9 2(2) . . . . ?
C8 C7 C6 C5 0(2) . . . . ?
C23 C24 C32 O8 9(2) . . . . ?
C23 C24 C25 C26 -172.5(13) . . . . ?
C23 C24 C25 C30 5(2) . . . . ?
C23 C22 C21 C30 5(2) . . . . ?
C23 C22 C21 C31 -174.1(13) . . . . ?
C41 C50 C49 C48 175.9(14) . . . . ?
C42 C41 C51 O9 -12(2) . . . . ?
C51 C41 C42 O10 8.1(19) . . . . ?
C51 C41 C42 C43 -169.3(12) . . . . ?
C32 C24 C23 O7 -7(2) . . . . ?
C32 C24 C23 C22 169.9(12) . . . . ?
C32 C24 C25 C26 14(2) . . . . ?
C32 C24 C25 C30 -168.1(13) . . . . ?
C25 C24 C23 O7 -179.6(13) . . . . ?
C25 C24 C23 C22 -3.1(19) . . . . ?
C25 C24 C32 O8 -178.3(14) . . . . ?
C25 C26 C27 C28 -3(2) . . . . ?
C26 C25 C30 C21 175.9(13) . . . . ?
C26 C25 C30 C29 -3(2) . . . . ?
C26 C27 C28 C29 1(2) . . . . ?
C28 C29 C30 C21 -177.2(14) . . . . ?
C28 C29 C30 C25 1(2) . . . . ?
C12 C4 C3 O3 -3(2) . . . . ?
C12 C4 C3 C2 176.7(12) . . . . ?
C12 C4 C5 C10 -177.1(13) . . . . ?
C12 C4 C5 C6 7(2) . . . . ?
C30 C21 C31 O5 -164.1(16) . . . . ?
C30 C29 C28 C27 0(2) . . . . ?
C30 C25 C26 C27 3(2) . . . . ?
C47 C48 C49 C50 2(2) . . . . ?
C31 C21 C30 C29 -5(2) . . . . ?
C31 C21 C30 C25 175.9(14) . . . . ?
C49 C50 C41 C42 178.9(12) . . . . ?
C49 C50 C41 C51 -13(2) . . . . ?
