#------------------------------------------------------------------------------
#$Date: 2022-02-26 01:10:45 +0200 (Sat, 26 Feb 2022) $
#$Revision: 273167 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/64/1566415.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_1566415
loop_
_publ_author_name
'Keener, Megan'
'Mattejat, Maxwell'
'Zheng, Shao-Liang'
'Wu, Guang'
'Hayton, Trevor W.'
'Ménard, Gabriel'
_publ_section_title
;
 Selective electrochemical capture and release of uranyl from aqueous
 alkali, lanthanide, and actinide mixtures using redox-switchable
 carboranes
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D1SC07070C
_journal_year                    2022
_chemical_formula_moiety         'C52 H60 B20 Cs2 O4 P4, C40 H60 Co2'
_chemical_formula_sum            'C92 H120 B20 Co2 Cs2 O4 P4'
_chemical_formula_weight         2013.63
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2021-10-11
_audit_creation_method
;
Olex2 1.3
(compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r5938)
;
_audit_update_record
;
2021-11-24 deposited with the CCDC.	2022-02-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.927(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.1327(15)
_cell_length_b                   17.9260(18)
_cell_length_c                   22.865(3)
_cell_measurement_reflns_used    861
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.00
_cell_measurement_theta_min      3.51
_cell_volume                     4826.7(10)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL n/a (Sheldrick, 2008)'
_diffrn_ambient_temperature      110.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            34189
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.157
_diffrn_reflns_theta_min         1.460
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.202
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.7009
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0459 before and 0.0406 after correction.
The Ratio of minimum to maximum transmission is 0.9402.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_description       block
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.932
_refine_diff_density_min         -0.774
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     573
_refine_ls_number_reflns         10682
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0344
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0407P)²+6.1259P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0844
_refine_ls_wR_factor_ref         0.0898
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8812
_reflns_number_total             10682
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc07070c2.cif
_cod_data_source_block           mk1211_0m
_cod_original_cell_volume        4826.8(10)
_cod_database_code               1566415
_shelx_shelxl_version_number     2014/7
_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   0.889
_shelx_estimated_absorpt_t_min   0.795
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2A), C3(H3A), C4(H4A), C5(H5A), C6(H6A), C8(H8A), C9(H9A), C10(H10A),
 C11(H11), C12(H12), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22),
  C23(H23), C24(H24), C25(H25), C26(H26)
2.b Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,
 H35C), C36(H36A,H36B,H36C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,
 H44B,H44C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C)
2.c Boron cage BH refined with riding coordinates:
 B1(H1), B2(H2), B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B9(H9), B10(H10)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
B1 B 0.8453(2) 0.70131(16) 0.64779(12) 0.0133(6) Uani 1 1 d . . . . .
H1 H 0.7746 0.6708 0.6611 0.016 Uiso 1 1 calc R U . . .
B2 B 0.8732(2) 0.78824(16) 0.61109(12) 0.0128(5) Uani 1 1 d . . . . .
H2 H 0.8271 0.8429 0.6060 0.015 Uiso 1 1 calc R U . . .
B3 B 0.9327(2) 0.73583(16) 0.55615(12) 0.0114(5) Uani 1 1 d . . . . .
H3 H 0.9069 0.7477 0.5066 0.014 Uiso 1 1 calc R U . . .
B4 B 0.9652(2) 0.75484(16) 0.68030(12) 0.0125(5) Uani 1 1 d . . . . .
H4 H 0.9639 0.7850 0.7230 0.015 Uiso 1 1 calc R U . . .
B5 B 1.0215(2) 0.78808(16) 0.61908(12) 0.0126(5) Uani 1 1 d . . . . .
H5 H 1.0598 0.8443 0.6157 0.015 Uiso 1 1 calc R U . . .
B6 B 1.0783(2) 0.70904(16) 0.59013(12) 0.0122(5) Uani 1 1 d . . . . .
H6 H 1.1425 0.7179 0.5629 0.015 Uiso 1 1 calc R U . . .
B7 B 1.0986(2) 0.72319(16) 0.66973(12) 0.0130(6) Uani 1 1 d . . . . .
H7 H 1.1788 0.7413 0.7022 0.016 Uiso 1 1 calc R U . . .
B8 B 0.9855(2) 0.63235(16) 0.57120(12) 0.0121(5) Uani 1 1 d . . . . .
B9 B 1.1005(2) 0.63183(16) 0.64126(12) 0.0127(5) Uani 1 1 d . . . . .
H9 H 1.1829 0.6094 0.6687 0.015 Uiso 1 1 calc R U . . .
B10 B 0.9950(2) 0.65465(15) 0.68597(12) 0.0113(5) Uani 1 1 d . . . . .
H10 H 0.9909 0.6235 0.7278 0.014 Uiso 1 1 calc R U . . .
C1 C 0.8289(2) 0.47178(14) 0.65119(11) 0.0153(5) Uani 1 1 d . . . . .
C2 C 0.7303(2) 0.50784(15) 0.62032(13) 0.0215(6) Uani 1 1 d . . . . .
H2A H 0.7358 0.5499 0.5959 0.026 Uiso 1 1 calc R U . . .
C3 C 0.6241(3) 0.48306(18) 0.62480(15) 0.0299(7) Uani 1 1 d . . . . .
H3A H 0.5575 0.5071 0.6024 0.036 Uiso 1 1 calc R U . . .
C4 C 0.6153(3) 0.42340(18) 0.66184(15) 0.0311(7) Uani 1 1 d . . . . .
H4A H 0.5428 0.4071 0.6655 0.037 Uiso 1 1 calc R U . . .
C5 C 0.7126(3) 0.38763(17) 0.69352(14) 0.0291(7) Uani 1 1 d . . . . .
H5A H 0.7068 0.3470 0.7193 0.035 Uiso 1 1 calc R U . . .
C6 C 0.8181(3) 0.41088(15) 0.68777(12) 0.0218(6) Uani 1 1 d . . . . .
H6A H 0.8842 0.3852 0.7089 0.026 Uiso 1 1 calc R U . . .
C7 C 1.0668(2) 0.46469(14) 0.70349(12) 0.0176(5) Uani 1 1 d . . . . .
C8 C 1.1547(3) 0.41867(16) 0.69538(14) 0.0254(6) Uani 1 1 d . . . . .
H8A H 1.1610 0.4069 0.6558 0.030 Uiso 1 1 calc R U . . .
C9 C 1.2332(3) 0.39001(18) 0.74497(16) 0.0334(8) Uani 1 1 d . . . . .
H9A H 1.2940 0.3598 0.7392 0.040 Uiso 1 1 calc R U . . .
C10 C 1.2229(3) 0.40536(17) 0.80217(15) 0.0338(8) Uani 1 1 d . . . . .
H10A H 1.2754 0.3845 0.8359 0.041 Uiso 1 1 calc R U . . .
C11 C 1.1364(3) 0.45107(16) 0.81104(13) 0.0289(7) Uani 1 1 d . . . . .
H11 H 1.1305 0.4623 0.8508 0.035 Uiso 1 1 calc R U . . .
C12 C 1.0583(3) 0.48050(15) 0.76194(12) 0.0212(6) Uani 1 1 d . . . . .
H12 H 0.9988 0.5116 0.7682 0.025 Uiso 1 1 calc R U . . .
C13 C 0.9749(2) 0.59569(14) 0.63074(10) 0.0113(5) Uani 1 1 d . . . . .
C14 C 0.8208(2) 0.71216(13) 0.57899(10) 0.0102(5) Uani 1 1 d . . . . .
C15 C 0.6748(2) 0.76087(15) 0.46517(11) 0.0151(5) Uani 1 1 d . . . . .
C16 C 0.6805(2) 0.83778(16) 0.47349(12) 0.0206(6) Uani 1 1 d . . . . .
H16 H 0.6905 0.8579 0.5129 0.025 Uiso 1 1 calc R U . . .
C17 C 0.6716(2) 0.88527(16) 0.42458(13) 0.0232(6) Uani 1 1 d . . . . .
H17 H 0.6762 0.9377 0.4307 0.028 Uiso 1 1 calc R U . . .
C18 C 0.6561(2) 0.85647(17) 0.36672(13) 0.0239(6) Uani 1 1 d . . . . .
H18 H 0.6502 0.8892 0.3334 0.029 Uiso 1 1 calc R U . . .
C19 C 0.6494(2) 0.78059(18) 0.35780(12) 0.0248(6) Uani 1 1 d . . . . .
H19 H 0.6385 0.7608 0.3183 0.030 Uiso 1 1 calc R U . . .
C20 C 0.6586(2) 0.73272(16) 0.40666(12) 0.0210(6) Uani 1 1 d . . . . .
H20 H 0.6538 0.6803 0.4002 0.025 Uiso 1 1 calc R U . . .
C21 C 0.5779(2) 0.71640(15) 0.56420(11) 0.0150(5) Uani 1 1 d . . . . .
C22 C 0.4853(2) 0.66853(16) 0.55554(12) 0.0204(6) Uani 1 1 d . . . . .
H22 H 0.4821 0.6258 0.5306 0.024 Uiso 1 1 calc R U . . .
C23 C 0.3975(2) 0.68303(18) 0.58330(13) 0.0261(6) Uani 1 1 d . . . . .
H23 H 0.3349 0.6497 0.5776 0.031 Uiso 1 1 calc R U . . .
C24 C 0.4001(2) 0.74510(18) 0.61890(13) 0.0248(6) Uani 1 1 d . . . . .
H24 H 0.3392 0.7549 0.6372 0.030 Uiso 1 1 calc R U . . .
C25 C 0.4921(2) 0.79325(17) 0.62803(13) 0.0251(6) Uani 1 1 d . . . . .
H25 H 0.4945 0.8361 0.6528 0.030 Uiso 1 1 calc R U . . .
C26 C 0.5809(2) 0.77862(16) 0.60083(13) 0.0210(6) Uani 1 1 d . . . . .
H26 H 0.6441 0.8115 0.6074 0.025 Uiso 1 1 calc R U . . .
C27 C 0.2187(3) 0.98146(16) 0.37930(15) 0.0286(7) Uani 1 1 d . . . . .
C28 C 0.0981(3) 0.98440(15) 0.36629(13) 0.0281(7) Uani 1 1 d . . . . .
C29 C 0.0637(2) 0.94711(16) 0.41464(14) 0.0258(7) Uani 1 1 d . . . . .
C30 C 0.1635(3) 0.92250(15) 0.45615(12) 0.0227(6) Uani 1 1 d . . . . .
C31 C 0.2582(3) 0.94340(17) 0.43418(14) 0.0280(7) Uani 1 1 d . . . . .
C32 C 0.2933(4) 1.0154(2) 0.34212(19) 0.0534(12) Uani 1 1 d . . . . .
H32A H 0.3028 1.0689 0.3510 0.080 Uiso 1 1 calc R U . . .
H32B H 0.2577 1.0085 0.2992 0.080 Uiso 1 1 calc R U . . .
H32C H 0.3677 0.9910 0.3520 0.080 Uiso 1 1 calc R U . . .
C33 C 0.0242(4) 1.0216(2) 0.31249(16) 0.0498(11) Uani 1 1 d . . . . .
H33A H 0.0165 1.0746 0.3212 0.075 Uiso 1 1 calc R U . . .
H33B H -0.0510 0.9981 0.3030 0.075 Uiso 1 1 calc R U . . .
H33C H 0.0585 1.0165 0.2780 0.075 Uiso 1 1 calc R U . . .
C34 C -0.0561(3) 0.9389(2) 0.4201(2) 0.0526(12) Uani 1 1 d . . . . .
H34A H -0.0631 0.8933 0.4425 0.079 Uiso 1 1 calc R U . . .
H34B H -0.1071 0.9361 0.3798 0.079 Uiso 1 1 calc R U . . .
H34C H -0.0766 0.9821 0.4416 0.079 Uiso 1 1 calc R U . . .
C35 C 0.1656(4) 0.8821(2) 0.51387(15) 0.0486(11) Uani 1 1 d . . . . .
H35A H 0.2293 0.8469 0.5225 0.073 Uiso 1 1 calc R U . . .
H35B H 0.0942 0.8548 0.5100 0.073 Uiso 1 1 calc R U . . .
H35C H 0.1747 0.9182 0.5469 0.073 Uiso 1 1 calc R U . . .
C36 C 0.3795(3) 0.9286(3) 0.46713(19) 0.0551(12) Uani 1 1 d . . . . .
H36A H 0.4258 0.9214 0.4379 0.083 Uiso 1 1 calc R U . . .
H36B H 0.3828 0.8835 0.4918 0.083 Uiso 1 1 calc R U . . .
H36C H 0.4087 0.9711 0.4932 0.083 Uiso 1 1 calc R U . . .
C37 C 0.0438(2) 0.80471(15) 0.31695(12) 0.0191(6) Uani 1 1 d . . . . .
C38 C 0.1300(2) 0.83137(14) 0.28898(11) 0.0139(5) Uani 1 1 d . . . . .
C39 C 0.2379(2) 0.81085(15) 0.32614(11) 0.0177(5) Uani 1 1 d . . . . .
C40 C 0.2170(3) 0.77112(16) 0.37716(12) 0.0238(6) Uani 1 1 d . . . . .
C41 C 0.0970(3) 0.76767(15) 0.37082(13) 0.0226(6) Uani 1 1 d . . . . .
C42 C -0.0825(3) 0.8121(2) 0.29092(15) 0.0355(8) Uani 1 1 d . . . . .
H42A H -0.1096 0.7697 0.2643 0.053 Uiso 1 1 calc R U . . .
H42B H -0.0982 0.8586 0.2679 0.053 Uiso 1 1 calc R U . . .
H42C H -0.1218 0.8128 0.3237 0.053 Uiso 1 1 calc R U . . .
C43 C 0.1099(3) 0.87248(16) 0.23042(12) 0.0233(6) Uani 1 1 d . . . . .
H43A H 0.1749 0.9049 0.2305 0.035 Uiso 1 1 calc R U . . .
H43B H 0.0410 0.9028 0.2252 0.035 Uiso 1 1 calc R U . . .
H43C H 0.1006 0.8366 0.1972 0.035 Uiso 1 1 calc R U . . .
C44 C 0.3504(2) 0.8255(2) 0.31371(14) 0.0311(7) Uani 1 1 d . . . . .
H44A H 0.3712 0.7838 0.2908 0.047 Uiso 1 1 calc R U . . .
H44B H 0.4076 0.8309 0.3519 0.047 Uiso 1 1 calc R U . . .
H44C H 0.3469 0.8716 0.2902 0.047 Uiso 1 1 calc R U . . .
C45 C 0.3038(3) 0.7363(2) 0.42763(14) 0.0423(9) Uani 1 1 d . . . . .
H45A H 0.2817 0.7441 0.4657 0.063 Uiso 1 1 calc R U . . .
H45B H 0.3779 0.7594 0.4300 0.063 Uiso 1 1 calc R U . . .
H45C H 0.3084 0.6827 0.4202 0.063 Uiso 1 1 calc R U . . .
C46 C 0.0374(3) 0.72975(18) 0.41289(15) 0.0374(8) Uani 1 1 d . . . . .
H46A H -0.0370 0.7530 0.4095 0.056 Uiso 1 1 calc R U . . .
H46B H 0.0830 0.7346 0.4544 0.056 Uiso 1 1 calc R U . . .
H46C H 0.0271 0.6768 0.4023 0.056 Uiso 1 1 calc R U . . .
Co1 Co 0.15216(3) 0.87634(2) 0.37318(2) 0.01152(8) Uani 1 1 d . . . . .
Cs1 Cs 1.18756(2) 0.50365(2) 0.53218(2) 0.02084(6) Uani 1 1 d . . . . .
O1 O 0.67796(16) 0.61785(10) 0.50177(8) 0.0177(4) Uani 1 1 d . . . . .
O2 O 0.98233(16) 0.45900(10) 0.58213(8) 0.0176(4) Uani 1 1 d . . . . .
P1 P 0.96498(6) 0.49875(3) 0.63727(3) 0.01207(13) Uani 1 1 d . . . . .
P2 P 0.69194(5) 0.69519(4) 0.52716(3) 0.01265(13) Uani 1 1 d . . . . .
H8 H 0.981(2) 0.6044(16) 0.5299(13) 0.014(7) 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 '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'
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
B2 B1 H1 140.8 . . ?
B2 B1 B10 107.84(18) . . ?
B4 B1 H1 139.8 . . ?
B4 B1 B2 60.30(15) . . ?
B4 B1 B10 57.97(15) . . ?
B10 B1 H1 110.6 . . ?
C14 B1 H1 111.6 . . ?
C14 B1 B2 55.87(15) . . ?
C14 B1 B4 107.5(2) . . ?
C14 B1 B10 115.5(2) . . ?
B1 B2 H2 130.2 . . ?
B1 B2 B3 91.38(18) . . ?
B3 B2 H2 129.9 . . ?
B4 B2 B1 57.44(15) . . ?
B4 B2 H2 124.7 . . ?
B4 B2 B3 99.60(18) . . ?
B5 B2 B1 104.25(19) . . ?
B5 B2 H2 118.9 . . ?
B5 B2 B3 60.94(15) . . ?
B5 B2 B4 60.57(16) . . ?
C14 B2 B1 52.63(15) . . ?
C14 B2 H2 124.3 . . ?
C14 B2 B3 55.52(15) . . ?
C14 B2 B4 102.25(19) . . ?
C14 B2 B5 109.1(2) . . ?
B2 B3 H3 122.0 . . ?
B2 B3 B8 121.65(19) . . ?
B5 B3 B2 57.28(15) . . ?
B5 B3 H3 131.6 . . ?
B5 B3 B8 103.83(17) . . ?
B6 B3 B2 110.03(18) . . ?
B6 B3 H3 119.3 . . ?
B6 B3 B5 58.08(15) . . ?
B6 B3 B8 55.43(14) . . ?
B8 B3 H3 110.9 . . ?
C14 B3 B2 54.61(15) . . ?
C14 B3 H3 108.8 . . ?
C14 B3 B5 105.08(19) . . ?
C14 B3 B6 126.6(2) . . ?
C14 B3 B8 87.68(17) . . ?
B1 B4 B2 62.26(16) . . ?
B1 B4 H4 116.7 . . ?
B1 B4 B5 106.45(19) . . ?
B1 B4 B7 117.1(2) . . ?
B1 B4 B10 67.81(16) . . ?
B2 B4 H4 118.0 . . ?
B2 B4 B10 117.23(19) . . ?
B5 B4 B2 58.62(15) . . ?
B5 B4 H4 127.3 . . ?
B5 B4 B10 105.91(19) . . ?
B7 B4 B2 112.1(2) . . ?
B7 B4 H4 118.4 . . ?
B7 B4 B5 58.24(15) . . ?
B7 B4 B10 61.82(16) . . ?
B10 B4 H4 117.1 . . ?
B2 B5 B3 61.79(16) . . ?
B2 B5 B4 60.82(16) . . ?
B2 B5 H5 114.9 . . ?
B2 B5 B6 116.2(2) . . ?
B3 B5 H5 125.4 . . ?
B4 B5 B3 100.33(19) . . ?
B4 B5 H5 126.4 . . ?
B6 B5 B3 60.43(15) . . ?
B6 B5 B4 106.27(19) . . ?
B6 B5 H5 119.2 . . ?
B7 B5 B2 116.1(2) . . ?
B7 B5 B3 107.47(19) . . ?
B7 B5 B4 60.46(16) . . ?
B7 B5 H5 118.7 . . ?
B7 B5 B6 61.36(16) . . ?
B3 B6 H6 117.4 . . ?
B5 B6 B3 61.49(16) . . ?
B5 B6 H6 118.7 . . ?
B5 B6 B7 58.61(15) . . ?
B5 B6 B9 112.7(2) . . ?
B7 B6 B3 106.20(19) . . ?
B7 B6 H6 126.8 . . ?
B8 B6 B3 66.62(16) . . ?
B8 B6 B5 115.6(2) . . ?
B8 B6 H6 117.5 . . ?
B8 B6 B7 106.44(19) . . ?
B8 B6 B9 62.89(16) . . ?
B9 B6 B3 117.5(2) . . ?
B9 B6 H6 117.2 . . ?
B9 B6 B7 58.98(15) . . ?
B4 B7 B6 105.91(19) . . ?
B4 B7 H7 119.3 . . ?
B4 B7 B10 60.26(16) . . ?
B5 B7 B4 61.30(16) . . ?
B5 B7 B6 60.03(16) . . ?
B5 B7 H7 119.2 . . ?
B5 B7 B9 115.2(2) . . ?
B5 B7 B10 107.03(19) . . ?
B6 B7 H7 126.7 . . ?
B6 B7 B10 100.06(18) . . ?
B9 B7 B4 115.9(2) . . ?
B9 B7 B6 60.37(16) . . ?
B9 B7 H7 115.2 . . ?
B9 B7 B10 61.92(16) . . ?
B10 B7 H7 125.5 . . ?
B3 B8 Cs1 113.63(13) . 3_766 ?
B3 B8 Cs1 140.14(15) . . ?
B3 B8 H8 110.1(15) . . ?
B6 B8 B3 57.95(15) . . ?
B6 B8 B9 59.25(15) . . ?
B6 B8 Cs1 154.91(16) . 3_766 ?
B6 B8 Cs1 97.29(14) . . ?
B6 B8 H8 119.0(16) . . ?
B9 B8 B3 107.57(18) . . ?
B9 B8 Cs1 138.24(15) . 3_766 ?
B9 B8 Cs1 78.29(12) . . ?
B9 B8 H8 129.7(15) . . ?
C13 B8 B3 117.6(2) . . ?
C13 B8 B6 107.4(2) . . ?
C13 B8 B9 56.05(15) . . ?
C13 B8 Cs1 97.38(15) . 3_766 ?
C13 B8 Cs1 98.68(15) . . ?
C13 B8 H8 125.9(15) . . ?
Cs1 B8 Cs1 74.69(5) . 3_766 ?
Cs1 B8 H8 38.0(15) 3_766 . ?
Cs1 B8 H8 51.4(15) . . ?
B6 B9 B8 57.87(15) . . ?
B6 B9 H9 128.2 . . ?
B6 B9 B10 99.97(18) . . ?
B6 B9 Cs1 93.56(14) . . ?
B7 B9 B6 60.65(16) . . ?
B7 B9 B8 103.91(19) . . ?
B7 B9 H9 102.5 . . ?
B7 B9 B10 61.51(16) . . ?
B7 B9 Cs1 148.22(16) . . ?
B8 B9 H9 150.6 . . ?
B8 B9 B10 89.98(17) . . ?
B8 B9 Cs1 72.56(12) . . ?
B10 B9 H9 114.2 . . ?
B10 B9 Cs1 147.61(15) . . ?
C13 B9 B6 102.95(19) . . ?
C13 B9 B7 109.3(2) . . ?
C13 B9 B8 52.29(14) . . ?
C13 B9 H9 128.4 . . ?
C13 B9 B10 54.83(15) . . ?
C13 B9 Cs1 93.57(14) . . ?
Cs1 B9 H9 78.2 . . ?
B1 B10 H10 111.1 . . ?
B4 B10 B1 54.22(14) . . ?
B4 B10 B7 57.91(15) . . ?
B4 B10 B9 109.04(19) . . ?
B4 B10 H10 120.1 . . ?
B7 B10 B1 102.91(18) . . ?
B7 B10 B9 56.57(15) . . ?
B7 B10 H10 132.2 . . ?
B9 B10 B1 121.55(18) . . ?
B9 B10 H10 122.4 . . ?
C13 B10 B1 88.95(17) . . ?
C13 B10 B4 126.5(2) . . ?
C13 B10 B7 104.96(19) . . ?
C13 B10 B9 54.85(15) . . ?
C13 B10 H10 108.1 . . ?
C2 C1 C6 118.2(3) . . ?
C2 C1 P1 119.5(2) . . ?
C6 C1 P1 122.0(2) . . ?
C1 C2 H2A 119.6 . . ?
C1 C2 Cs1 93.23(17) . 3_766 ?
C3 C2 C1 120.8(3) . . ?
C3 C2 H2A 119.6 . . ?
C3 C2 Cs1 119.7(2) . 3_766 ?
Cs1 C2 H2A 56.0 3_766 . ?
C2 C3 H3A 119.9 . . ?
C4 C3 C2 120.1(3) . . ?
C4 C3 H3A 119.9 . . ?
C3 C4 H4A 120.1 . . ?
C3 C4 C5 119.7(3) . . ?
C5 C4 H4A 120.1 . . ?
C4 C5 H5A 119.9 . . ?
C6 C5 C4 120.2(3) . . ?
C6 C5 H5A 119.9 . . ?
C1 C6 H6A 119.5 . . ?
C5 C6 C1 120.9(3) . . ?
C5 C6 H6A 119.5 . . ?
C8 C7 P1 118.5(2) . . ?
C12 C7 C8 118.8(3) . . ?
C12 C7 P1 122.6(2) . . ?
C7 C8 H8A 119.8 . . ?
C9 C8 C7 120.3(3) . . ?
C9 C8 H8A 119.8 . . ?
C8 C9 H9A 120.0 . . ?
C10 C9 C8 120.1(3) . . ?
C10 C9 H9A 120.0 . . ?
C9 C10 H10A 119.8 . . ?
C9 C10 C11 120.3(3) . . ?
C11 C10 H10A 119.8 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(3) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 119.8 . . ?
C11 C12 C7 120.3(3) . . ?
C11 C12 H12 119.8 . . ?
B8 C13 B9 71.66(18) . . ?
B8 C13 B10 112.4(2) . . ?
B8 C13 P1 121.29(18) . . ?
B9 C13 P1 117.75(17) . . ?
B10 C13 B9 70.32(17) . . ?
B10 C13 P1 125.59(18) . . ?
B1 C14 B2 71.51(18) . . ?
B1 C14 B3 113.0(2) . . ?
B1 C14 P2 126.27(18) . . ?
B2 C14 B3 69.87(17) . . ?
B2 C14 P2 130.47(18) . . ?
B3 C14 P2 120.57(17) . . ?
C16 C15 C20 118.6(2) . . ?
C16 C15 P2 122.9(2) . . ?
C20 C15 P2 118.4(2) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.4(3) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.3(3) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.9(3) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0(3) . . ?
C20 C19 H19 120.0 . . ?
C15 C20 H20 119.6 . . ?
C19 C20 C15 120.7(3) . . ?
C19 C20 H20 119.6 . . ?
C22 C21 C26 119.0(2) . . ?
C22 C21 P2 118.8(2) . . ?
C26 C21 P2 122.2(2) . . ?
C21 C22 H22 119.9 . . ?
C21 C22 C23 120.1(3) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.7(3) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 120.1 . . ?
C23 C24 C25 119.8(3) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.8(3) . . ?
C26 C25 H25 120.1 . . ?
C21 C26 C25 120.6(3) . . ?
C21 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C28 C27 C32 126.3(3) . . ?
C28 C27 Co1 69.50(17) . . ?
C31 C27 C28 108.5(3) . . ?
C31 C27 C32 125.2(3) . . ?
C31 C27 Co1 69.98(17) . . ?
C32 C27 Co1 127.9(2) . . ?
C27 C28 C29 107.3(3) . . ?
C27 C28 C33 124.9(3) . . ?
C27 C28 Co1 69.70(17) . . ?
C29 C28 C33 127.8(3) . . ?
C29 C28 Co1 69.28(16) . . ?
C33 C28 Co1 127.3(2) . . ?
C28 C29 C34 125.3(3) . . ?
C28 C29 Co1 69.43(16) . . ?
C30 C29 C28 107.5(3) . . ?
C30 C29 C34 127.2(3) . . ?
C30 C29 Co1 69.93(16) . . ?
C34 C29 Co1 127.5(2) . . ?
C29 C30 C35 124.8(3) . . ?
C29 C30 Co1 69.42(15) . . ?
C31 C30 C29 108.5(3) . . ?
C31 C30 C35 126.8(3) . . ?
C31 C30 Co1 69.86(16) . . ?
C35 C30 Co1 127.2(2) . . ?
C27 C31 C30 108.3(3) . . ?
C27 C31 C36 127.8(3) . . ?
C27 C31 Co1 69.73(17) . . ?
C30 C31 C36 123.8(3) . . ?
C30 C31 Co1 69.77(16) . . ?
C36 C31 Co1 128.0(2) . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C42 125.1(3) . . ?
C38 C37 Co1 69.19(14) . . ?
C41 C37 C38 108.5(2) . . ?
C41 C37 C42 126.4(3) . . ?
C41 C37 Co1 70.01(15) . . ?
C42 C37 Co1 128.9(2) . . ?
C37 C38 C43 125.8(2) . . ?
C37 C38 Co1 69.88(14) . . ?
C39 C38 C37 108.2(2) . . ?
C39 C38 C43 126.0(2) . . ?
C39 C38 Co1 69.32(14) . . ?
C43 C38 Co1 127.21(18) . . ?
C38 C39 C40 107.1(2) . . ?
C38 C39 C44 126.5(3) . . ?
C38 C39 Co1 69.76(14) . . ?
C40 C39 C44 126.3(3) . . ?
C40 C39 Co1 69.24(15) . . ?
C44 C39 Co1 127.5(2) . . ?
C39 C40 C45 127.0(3) . . ?
C39 C40 Co1 69.36(15) . . ?
C41 C40 C39 108.2(2) . . ?
C41 C40 C45 124.8(3) . . ?
C41 C40 Co1 70.30(16) . . ?
C45 C40 Co1 127.7(2) . . ?
C37 C41 C40 108.0(2) . . ?
C37 C41 C46 125.7(3) . . ?
C37 C41 Co1 69.81(15) . . ?
C40 C41 C46 126.3(3) . . ?
C40 C41 Co1 68.85(16) . . ?
C46 C41 Co1 128.1(2) . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C40 C45 H45A 109.5 . . ?
C40 C45 H45B 109.5 . . ?
C40 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C27 Co1 C30 68.01(12) . . ?
C27 Co1 C31 40.29(13) . . ?
C27 Co1 C37 143.42(13) . . ?
C27 Co1 C38 112.88(11) . . ?
C27 Co1 C41 175.61(14) . . ?
C28 Co1 C27 40.80(14) . . ?
C28 Co1 C30 68.63(12) . . ?
C28 Co1 C31 68.42(13) . . ?
C28 Co1 C37 113.58(12) . . ?
C28 Co1 C38 109.56(11) . . ?
C28 Co1 C41 143.27(14) . . ?
C29 Co1 C27 68.73(12) . . ?
C29 Co1 C28 41.29(13) . . ?
C29 Co1 C30 40.65(12) . . ?
C29 Co1 C31 68.41(12) . . ?
C29 Co1 C37 110.55(11) . . ?
C29 Co1 C38 135.97(11) . . ?
C29 Co1 C39 175.61(12) . . ?
C29 Co1 C41 113.44(12) . . ?
C30 Co1 C31 40.37(12) . . ?
C30 Co1 C37 136.41(12) . . ?
C30 Co1 C38 176.37(12) . . ?
C30 Co1 C41 110.90(11) . . ?
C31 Co1 C37 175.97(12) . . ?
C31 Co1 C41 136.23(13) . . ?
C37 Co1 C41 40.17(11) . . ?
C38 Co1 C31 142.44(12) . . ?
C38 Co1 C37 40.93(10) . . ?
C38 Co1 C41 68.49(10) . . ?
C39 Co1 C27 108.91(12) . . ?
C39 Co1 C28 134.57(12) . . ?
C39 Co1 C30 142.56(12) . . ?
C39 Co1 C31 112.41(12) . . ?
C39 Co1 C37 68.94(11) . . ?
C39 Co1 C38 40.91(10) . . ?
C39 Co1 C41 69.19(11) . . ?
C40 Co1 C27 135.20(14) . . ?
C40 Co1 C28 175.28(14) . . ?
C40 Co1 C29 142.83(13) . . ?
C40 Co1 C30 113.23(11) . . ?
C40 Co1 C31 109.95(13) . . ?
C40 Co1 C37 68.35(12) . . ?
C40 Co1 C38 68.83(10) . . ?
C40 Co1 C39 41.40(11) . . ?
C40 Co1 C41 40.85(13) . . ?
B8 Cs1 B8 105.31(5) . 3_766 ?
B8 Cs1 B9 29.15(6) . . ?
B8 Cs1 B9 128.93(6) 3_766 . ?
B8 Cs1 C2 67.38(6) 3_766 3_766 ?
B8 Cs1 C2 126.36(6) . 3_766 ?
B8 Cs1 Cs1 52.14(4) 3_766 3_766 ?
B8 Cs1 Cs1 53.18(4) . 3_766 ?
B8 Cs1 P1 93.70(4) . 3_766 ?
B8 Cs1 P1 44.65(4) 3_766 3_766 ?
B8 Cs1 P1 43.73(5) . . ?
B8 Cs1 P1 90.45(5) 3_766 . ?
B8 Cs1 P2 54.52(4) 3_766 3_766 ?
B8 Cs1 P2 157.95(5) . 3_766 ?
B8 Cs1 H8 15.5(5) . . ?
B8 Cs1 H8 92.3(5) 3_766 . ?
B9 Cs1 C2 144.57(6) . 3_766 ?
B9 Cs1 Cs1 78.85(4) . 3_766 ?
B9 Cs1 P1 43.51(5) . . ?
B9 Cs1 P1 122.17(4) . 3_766 ?
B9 Cs1 P2 156.41(4) . 3_766 ?
B9 Cs1 H8 44.7(5) . . ?
C2 Cs1 Cs1 99.56(4) 3_766 3_766 ?
C2 Cs1 P1 153.55(4) 3_766 . ?
C2 Cs1 P1 42.23(4) 3_766 3_766 ?
C2 Cs1 P2 58.44(4) 3_766 3_766 ?
C2 Cs1 H8 113.8(5) 3_766 . ?
Cs1 Cs1 H8 41.0(5) 3_766 . ?
O1 Cs1 B8 170.95(6) 3_766 . ?
O1 Cs1 B8 66.81(6) 3_766 3_766 ?
O1 Cs1 B9 154.12(5) 3_766 . ?
O1 Cs1 C2 55.96(5) 3_766 3_766 ?
O1 Cs1 Cs1 118.79(4) 3_766 3_766 ?
O1 Cs1 O2 117.06(5) 3_766 . ?
O1 Cs1 O2 104.19(5) 3_766 3_766 ?
O1 Cs1 P1 83.65(4) 3_766 3_766 ?
O1 Cs1 P1 129.58(4) 3_766 . ?
O1 Cs1 P2 13.11(4) 3_766 3_766 ?
O1 Cs1 H8 158.8(5) 3_766 . ?
O2 Cs1 B8 71.30(6) . 3_766 ?
O2 Cs1 B8 54.61(6) . . ?
O2 Cs1 B8 54.56(6) 3_766 3_766 ?
O2 Cs1 B8 73.04(6) 3_766 . ?
O2 Cs1 B9 61.84(5) . . ?
O2 Cs1 B9 101.55(5) 3_766 . ?
O2 Cs1 C2 136.74(5) . 3_766 ?
O2 Cs1 C2 59.67(6) 3_766 3_766 ?
O2 Cs1 Cs1 42.26(3) . 3_766 ?
O2 Cs1 Cs1 43.94(4) 3_766 3_766 ?
O2 Cs1 O2 86.20(5) 3_766 . ?
O2 Cs1 P1 20.68(3) 3_766 3_766 ?
O2 Cs1 P1 19.23(3) . . ?
O2 Cs1 P1 97.68(4) . 3_766 ?
O2 Cs1 P1 96.11(4) 3_766 . ?
O2 Cs1 P2 97.35(3) 3_766 3_766 ?
O2 Cs1 P2 105.91(3) . 3_766 ?
O2 Cs1 H8 55.3(5) . . ?
O2 Cs1 H8 57.8(5) 3_766 . ?
P1 Cs1 Cs1 57.479(11) 3_766 3_766 ?
P1 Cs1 Cs1 54.203(12) . 3_766 ?
P1 Cs1 P1 111.682(14) 3_766 . ?
P1 Cs1 P2 77.699(14) 3_766 3_766 ?
P1 Cs1 P2 120.673(14) . 3_766 ?
P1 Cs1 H8 78.4(5) 3_766 . ?
P1 Cs1 H8 50.4(5) . . ?
P2 Cs1 Cs1 106.078(11) 3_766 3_766 ?
P2 Cs1 H8 146.8(5) 3_766 . ?
P2 O1 Cs1 140.48(10) . 3_766 ?
Cs1 O2 Cs1 93.80(5) 3_766 . ?
P1 O2 Cs1 114.83(9) . 3_766 ?
P1 O2 Cs1 118.36(9) . . ?
C1 P1 Cs1 86.38(8) . 3_766 ?
C1 P1 Cs1 151.32(8) . . ?
C7 P1 C1 103.22(13) . . ?
C7 P1 Cs1 153.77(9) . 3_766 ?
C7 P1 Cs1 94.92(9) . . ?
C13 P1 C1 111.23(12) . . ?
C13 P1 C7 111.00(12) . . ?
C13 P1 Cs1 81.83(8) . . ?
C13 P1 Cs1 87.23(8) . 3_766 ?
Cs1 P1 Cs1 68.318(14) 3_766 . ?
O2 P1 C1 109.64(11) . . ?
O2 P1 C7 109.57(12) . . ?
O2 P1 C13 111.83(11) . . ?
O2 P1 Cs1 42.41(7) . . ?
O2 P1 Cs1 44.49(7) . 3_766 ?
C14 P2 C15 109.42(12) . . ?
C14 P2 C21 107.67(12) . . ?
C14 P2 Cs1 92.44(8) . 3_766 ?
C15 P2 C21 105.63(12) . . ?
C15 P2 Cs1 106.35(9) . 3_766 ?
C21 P2 Cs1 133.43(9) . 3_766 ?
O1 P2 C14 115.08(11) . . ?
O1 P2 C15 108.47(11) . . ?
O1 P2 C21 110.16(12) . . ?
O1 P2 Cs1 26.41(7) . 3_766 ?
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
B1 H1 1.1200 . ?
B1 B2 1.839(4) . ?
B1 B4 1.752(4) . ?
B1 B10 1.999(4) . ?
B1 C14 1.541(4) . ?
B2 H2 1.1200 . ?
B2 B3 1.849(4) . ?
B2 B4 1.805(4) . ?
B2 B5 1.765(4) . ?
B2 C14 1.605(4) . ?
B3 H3 1.1200 . ?
B3 B5 1.834(4) . ?
B3 B6 1.815(4) . ?
B3 B8 1.966(4) . ?
B3 C14 1.623(4) . ?
B4 H4 1.1200 . ?
B4 B5 1.801(4) . ?
B4 B7 1.786(4) . ?
B4 B10 1.830(4) . ?
B5 H5 1.1200 . ?
B5 B6 1.771(4) . ?
B5 B7 1.746(4) . ?
B6 H6 1.1200 . ?
B6 B7 1.795(4) . ?
B6 B8 1.764(4) . ?
B6 B9 1.790(4) . ?
B7 H7 1.1200 . ?
B7 B9 1.764(4) . ?
B7 B10 1.858(4) . ?
B8 B9 1.854(4) . ?
B8 C13 1.545(4) . ?
B8 Cs1 3.631(3) . ?
B8 Cs1 3.681(3) 3_766 ?
B8 H8 1.06(3) . ?
B9 H9 1.1200 . ?
B9 B10 1.866(4) . ?
B9 C13 1.620(4) . ?
B9 Cs1 3.726(3) . ?
B10 H10 1.1200 . ?
B10 C13 1.620(4) . ?
C1 C2 1.393(4) . ?
C1 C6 1.400(4) . ?
C1 P1 1.820(3) . ?
C2 H2A 0.9500 . ?
C2 C3 1.390(4) . ?
C2 Cs1 3.856(3) 3_766 ?
C3 H3A 0.9500 . ?
C3 C4 1.384(5) . ?
C4 H4A 0.9500 . ?
C4 C5 1.385(5) . ?
C5 H5A 0.9500 . ?
C5 C6 1.382(4) . ?
C6 H6A 0.9500 . ?
C7 C8 1.396(4) . ?
C7 C12 1.394(4) . ?
C7 P1 1.814(3) . ?
C8 H8A 0.9500 . ?
C8 C9 1.392(4) . ?
C9 H9A 0.9500 . ?
C9 C10 1.371(5) . ?
C10 H10A 0.9500 . ?
C10 C11 1.384(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.387(4) . ?
C12 H12 0.9500 . ?
C13 P1 1.751(3) . ?
C14 P2 1.746(2) . ?
C15 C16 1.391(4) . ?
C15 C20 1.399(4) . ?
C15 P2 1.816(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.389(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.390(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.375(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.392(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.389(4) . ?
C21 C26 1.390(4) . ?
C21 P2 1.828(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.390(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.374(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.386(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.393(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.422(5) . ?
C27 C31 1.407(5) . ?
C27 C32 1.511(5) . ?
C27 Co1 2.042(3) . ?
C28 C29 1.437(4) . ?
C28 C33 1.494(4) . ?
C28 Co1 2.039(3) . ?
C29 C30 1.418(4) . ?
C29 C34 1.495(4) . ?
C29 Co1 2.037(3) . ?
C30 C31 1.411(4) . ?
C30 C35 1.500(4) . ?
C30 Co1 2.044(3) . ?
C31 C36 1.507(5) . ?
C31 Co1 2.045(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.433(4) . ?
C37 C41 1.411(4) . ?
C37 C42 1.510(4) . ?
C37 Co1 2.054(3) . ?
C38 C39 1.427(4) . ?
C38 C43 1.496(4) . ?
C38 Co1 2.044(2) . ?
C39 C40 1.440(4) . ?
C39 C44 1.484(4) . ?
C39 Co1 2.038(3) . ?
C40 C41 1.429(4) . ?
C40 C45 1.498(4) . ?
C40 Co1 2.037(3) . ?
C41 C46 1.498(4) . ?
C41 Co1 2.056(3) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
Cs1 B8 3.681(3) 3_766 ?
Cs1 C2 3.855(3) 3_766 ?
Cs1 Cs1 4.4354(6) 3_766 ?
Cs1 O1 2.9356(18) 3_766 ?
Cs1 O2 3.0844(19) . ?
Cs1 O2 2.9893(18) 3_766 ?
Cs1 P1 4.0247(8) . ?
Cs1 P1 3.8714(8) 3_766 ?
Cs1 P2 4.1999(7) 3_766 ?
Cs1 H8 3.08(3) . ?
O1 Cs1 2.9356(18) 3_766 ?
O1 P2 1.4969(19) . ?
O2 Cs1 2.9894(18) 3_766 ?
O2 P1 1.5065(18) . ?
P1 Cs1 3.8714(8) 3_766 ?
P2 Cs1 4.1998(7) 3_766 ?
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
B1 B2 B3 B5 -105.56(18) . . . . ?
B1 B2 B3 B6 -80.1(2) . . . . ?
B1 B2 B3 B8 -19.1(2) . . . . ?
B1 B2 B3 C14 41.13(16) . . . . ?
B1 B2 B4 B5 134.1(2) . . . . ?
B1 B2 B4 B7 110.0(2) . . . . ?
B1 B2 B4 B10 41.4(2) . . . . ?
B1 B2 B5 B3 83.53(19) . . . . ?
B1 B2 B5 B4 -38.66(17) . . . . ?
B1 B2 B5 B6 56.1(3) . . . . ?
B1 B2 B5 B7 -13.2(3) . . . . ?
B1 B2 C14 B3 -124.2(2) . . . . ?
B1 B2 C14 P2 122.3(3) . . . . ?
B1 B4 B5 B2 41.53(19) . . . . ?
B1 B4 B5 B3 -7.8(2) . . . . ?
B1 B4 B5 B6 -69.8(2) . . . . ?
B1 B4 B5 B7 -112.1(2) . . . . ?
B1 B4 B7 B5 93.3(2) . . . . ?
B1 B4 B7 B6 51.7(3) . . . . ?
B1 B4 B7 B9 -12.6(3) . . . . ?
B1 B4 B7 B10 -40.9(2) . . . . ?
B1 B4 B10 B7 140.97(19) . . . . ?
B1 B4 B10 B9 115.7(2) . . . . ?
B1 B4 B10 C13 55.8(3) . . . . ?
B1 B10 C13 B8 71.3(2) . . . . ?
B1 B10 C13 B9 130.77(18) . . . . ?
B1 B10 C13 P1 -118.6(2) . . . . ?
B1 C14 P2 C15 147.3(2) . . . . ?
B1 C14 P2 C21 32.9(2) . . . . ?
B1 C14 P2 Cs1 -104.4(2) . . . 3_766 ?
B1 C14 P2 O1 -90.3(2) . . . . ?
B2 B1 B4 B5 -39.76(18) . . . . ?
B2 B1 B4 B7 -102.0(2) . . . . ?
B2 B1 B4 B10 -140.61(19) . . . . ?
B2 B1 C14 B3 57.6(2) . . . . ?
B2 B1 C14 P2 -127.1(2) . . . . ?
B2 B3 B5 B4 48.68(17) . . . . ?
B2 B3 B5 B6 151.6(2) . . . . ?
B2 B3 B5 B7 110.8(2) . . . . ?
B2 B3 B6 B5 -25.19(19) . . . . ?
B2 B3 B6 B7 14.0(3) . . . . ?
B2 B3 B6 B8 115.3(2) . . . . ?
B2 B3 B6 B9 77.0(3) . . . . ?
B2 B3 C14 B1 -58.5(2) . . . . ?
B2 B3 C14 P2 125.9(2) . . . . ?
B2 B4 B5 B3 -49.29(17) . . . . ?
B2 B4 B5 B6 -111.3(2) . . . . ?
B2 B4 B5 B7 -153.6(2) . . . . ?
B2 B4 B7 B5 24.17(19) . . . . ?
B2 B4 B7 B6 -17.4(3) . . . . ?
B2 B4 B7 B9 -81.7(3) . . . . ?
B2 B4 B7 B10 -110.0(2) . . . . ?
B2 B4 B10 B1 -39.2(2) . . . . ?
B2 B4 B10 B7 101.8(2) . . . . ?
B2 B4 B10 B9 76.5(2) . . . . ?
B2 B4 B10 C13 16.7(4) . . . . ?
B2 B5 B6 B3 27.8(2) . . . . ?
B2 B5 B6 B7 -106.9(2) . . . . ?
B2 B5 B6 B8 -12.6(3) . . . . ?
B2 B5 B6 B9 -82.3(3) . . . . ?
B2 B5 B7 B4 -25.6(2) . . . . ?
B2 B5 B7 B6 107.0(2) . . . . ?
B2 B5 B7 B9 81.4(3) . . . . ?
B2 B5 B7 B10 15.0(3) . . . . ?
B2 C14 P2 C15 51.0(3) . . . . ?
B2 C14 P2 C21 -63.3(3) . . . . ?
B2 C14 P2 Cs1 159.3(2) . . . 3_766 ?
B2 C14 P2 O1 173.4(2) . . . . ?
B3 B2 B4 B1 -85.47(19) . . . . ?
B3 B2 B4 B5 48.61(17) . . . . ?
B3 B2 B4 B7 24.5(2) . . . . ?
B3 B2 B4 B10 -44.1(3) . . . . ?
B3 B2 B5 B4 -122.19(19) . . . . ?
B3 B2 B5 B6 -27.4(2) . . . . ?
B3 B2 B5 B7 -96.7(2) . . . . ?
B3 B2 C14 B1 124.2(2) . . . . ?
B3 B2 C14 P2 -113.5(2) . . . . ?
B3 B5 B6 B7 -134.7(2) . . . . ?
B3 B5 B6 B8 -40.4(2) . . . . ?
B3 B5 B6 B9 -110.1(2) . . . . ?
B3 B5 B7 B4 -92.2(2) . . . . ?
B3 B5 B7 B6 40.41(18) . . . . ?
B3 B5 B7 B9 14.9(3) . . . . ?
B3 B5 B7 B10 -51.6(2) . . . . ?
B3 B6 B7 B4 1.6(2) . . . . ?
B3 B6 B7 B5 -40.59(19) . . . . ?
B3 B6 B7 B9 112.8(2) . . . . ?
B3 B6 B7 B10 63.4(2) . . . . ?
B3 B6 B8 B9 -141.91(19) . . . . ?
B3 B6 B8 C13 -112.1(2) . . . . ?
B3 B6 B8 Cs1 77.2(4) . . . 3_766 ?
B3 B6 B8 Cs1 146.41(14) . . . . ?
B3 B6 B9 B7 -93.1(2) . . . . ?
B3 B6 B9 B8 39.7(2) . . . . ?
B3 B6 B9 B10 -44.0(2) . . . . ?
B3 B6 B9 C13 12.0(3) . . . . ?
B3 B6 B9 Cs1 106.50(18) . . . . ?
B3 B8 B9 B6 -33.26(17) . . . . ?
B3 B8 B9 B7 8.0(2) . . . . ?
B3 B8 B9 B10 68.5(2) . . . . ?
B3 B8 B9 C13 111.8(2) . . . . ?
B3 B8 B9 Cs1 -139.17(16) . . . . ?
B3 B8 C13 B9 -93.4(2) . . . . ?
B3 B8 C13 B10 -34.7(3) . . . . ?
B3 B8 C13 P1 154.74(17) . . . . ?
B3 C14 P2 C15 -37.7(2) . . . . ?
B3 C14 P2 C21 -152.09(19) . . . . ?
B3 C14 P2 Cs1 70.54(19) . . . 3_766 ?
B3 C14 P2 O1 84.6(2) . . . . ?
B4 B1 B2 B3 100.52(18) . . . . ?
B4 B1 B2 B5 40.21(18) . . . . ?
B4 B1 B2 C14 143.5(2) . . . . ?
B4 B1 C14 B2 -32.8(2) . . . . ?
B4 B1 C14 B3 24.8(3) . . . . ?
B4 B1 C14 P2 -159.87(18) . . . . ?
B4 B2 B3 B5 -48.37(17) . . . . ?
B4 B2 B3 B6 -22.9(2) . . . . ?
B4 B2 B3 B8 38.1(3) . . . . ?
B4 B2 B3 C14 98.3(2) . . . . ?
B4 B2 B5 B3 122.19(19) . . . . ?
B4 B2 B5 B6 94.8(2) . . . . ?
B4 B2 B5 B7 25.5(2) . . . . ?
B4 B2 C14 B1 30.83(19) . . . . ?
B4 B2 C14 B3 -93.3(2) . . . . ?
B4 B2 C14 P2 153.14(19) . . . . ?
B4 B5 B6 B3 92.8(2) . . . . ?
B4 B5 B6 B7 -41.87(18) . . . . ?
B4 B5 B6 B8 52.4(3) . . . . ?
B4 B5 B6 B9 -17.2(3) . . . . ?
B4 B5 B7 B6 132.6(2) . . . . ?
B4 B5 B7 B9 107.0(2) . . . . ?
B4 B5 B7 B10 40.61(18) . . . . ?
B4 B7 B9 B6 94.3(2) . . . . ?
B4 B7 B9 B8 54.4(3) . . . . ?
B4 B7 B9 B10 -27.83(19) . . . . ?
B4 B7 B9 C13 -0.1(3) . . . . ?
B4 B7 B9 Cs1 133.7(2) . . . . ?
B4 B7 B10 B1 31.61(16) . . . . ?
B4 B7 B10 B9 151.1(2) . . . . ?
B4 B7 B10 C13 124.0(2) . . . . ?
B4 B10 C13 B8 29.2(3) . . . . ?
B4 B10 C13 B9 88.6(3) . . . . ?
B4 B10 C13 P1 -160.80(19) . . . . ?
B5 B2 B3 B6 25.43(19) . . . . ?
B5 B2 B3 B8 86.4(2) . . . . ?
B5 B2 B3 C14 146.7(2) . . . . ?
B5 B2 B4 B1 -134.1(2) . . . . ?
B5 B2 B4 B7 -24.07(19) . . . . ?
B5 B2 B4 B10 -92.7(2) . . . . ?
B5 B2 C14 B1 93.6(2) . . . . ?
B5 B2 C14 B3 -30.52(19) . . . . ?
B5 B2 C14 P2 -144.1(2) . . . . ?
B5 B3 B6 B7 39.20(18) . . . . ?
B5 B3 B6 B8 140.5(2) . . . . ?
B5 B3 B6 B9 102.2(2) . . . . ?
B5 B3 C14 B1 -29.9(3) . . . . ?
B5 B3 C14 B2 28.58(18) . . . . ?
B5 B3 C14 P2 154.48(17) . . . . ?
B5 B4 B7 B6 -41.56(18) . . . . ?
B5 B4 B7 B9 -105.9(2) . . . . ?
B5 B4 B7 B10 -134.21(19) . . . . ?
B5 B4 B10 B1 -101.6(2) . . . . ?
B5 B4 B10 B7 39.33(17) . . . . ?
B5 B4 B10 B9 14.1(2) . . . . ?
B5 B4 B10 C13 -45.8(3) . . . . ?
B5 B6 B7 B4 42.20(18) . . . . ?
B5 B6 B7 B9 153.3(2) . . . . ?
B5 B6 B7 B10 104.0(2) . . . . ?
B5 B6 B8 B3 38.35(19) . . . . ?
B5 B6 B8 B9 -103.6(2) . . . . ?
B5 B6 B8 C13 -73.7(3) . . . . ?
B5 B6 B8 Cs1 -175.25(16) . . . . ?
B5 B6 B8 Cs1 115.5(3) . . . 3_766 ?
B5 B6 B9 B7 -24.52(19) . . . . ?
B5 B6 B9 B8 108.2(2) . . . . ?
B5 B6 B9 B10 24.6(2) . . . . ?
B5 B6 B9 C13 80.6(2) . . . . ?
B5 B6 B9 Cs1 175.06(16) . . . . ?
B5 B7 B9 B6 25.4(2) . . . . ?
B5 B7 B9 B8 -14.4(3) . . . . ?
B5 B7 B9 B10 -96.6(2) . . . . ?
B5 B7 B9 C13 -68.9(3) . . . . ?
B5 B7 B9 Cs1 64.9(4) . . . . ?
B5 B7 B10 B1 -9.5(2) . . . . ?
B5 B7 B10 B4 -41.11(18) . . . . ?
B5 B7 B10 B9 110.0(2) . . . . ?
B5 B7 B10 C13 82.9(2) . . . . ?
B6 B3 B5 B2 -151.6(2) . . . . ?
B6 B3 B5 B4 -102.9(2) . . . . ?
B6 B3 B5 B7 -40.86(19) . . . . ?
B6 B3 C14 B1 31.3(3) . . . . ?
B6 B3 C14 B2 89.8(3) . . . . ?
B6 B3 C14 P2 -144.3(2) . . . . ?
B6 B5 B7 B4 -132.6(2) . . . . ?
B6 B5 B7 B9 -25.5(2) . . . . ?
B6 B5 B7 B10 -92.0(2) . . . . ?
B6 B7 B9 B8 -39.83(17) . . . . ?
B6 B7 B9 B10 -122.08(18) . . . . ?
B6 B7 B9 C13 -94.3(2) . . . . ?
B6 B7 B9 Cs1 39.4(3) . . . . ?
B6 B7 B10 B1 -71.1(2) . . . . ?
B6 B7 B10 B4 -102.67(19) . . . . ?
B6 B7 B10 B9 48.42(17) . . . . ?
B6 B7 B10 C13 21.3(2) . . . . ?
B6 B8 B9 B7 41.25(18) . . . . ?
B6 B8 B9 B10 101.81(18) . . . . ?
B6 B8 B9 C13 145.1(2) . . . . ?
B6 B8 B9 Cs1 -105.91(14) . . . . ?
B6 B8 C13 B9 -31.01(19) . . . . ?
B6 B8 C13 B10 27.6(3) . . . . ?
B6 B8 C13 P1 -142.89(18) . . . . ?
B6 B9 B10 B1 36.2(3) . . . . ?
B6 B9 B10 B4 -22.9(2) . . . . ?
B6 B9 B10 B7 -48.58(17) . . . . ?
B6 B9 B10 C13 98.89(19) . . . . ?
B6 B9 C13 B8 29.81(19) . . . . ?
B6 B9 C13 B10 -93.2(2) . . . . ?
B6 B9 C13 P1 146.16(17) . . . . ?
B7 B4 B5 B2 153.6(2) . . . . ?
B7 B4 B5 B3 104.3(2) . . . . ?
B7 B4 B5 B6 42.32(18) . . . . ?
B7 B4 B10 B1 -140.97(19) . . . . ?
B7 B4 B10 B9 -25.27(17) . . . . ?
B7 B4 B10 C13 -85.1(3) . . . . ?
B7 B5 B6 B3 134.7(2) . . . . ?
B7 B5 B6 B8 94.3(2) . . . . ?
B7 B5 B6 B9 24.62(19) . . . . ?
B7 B6 B8 B3 100.9(2) . . . . ?
B7 B6 B8 B9 -41.00(18) . . . . ?
B7 B6 B8 C13 -11.2(3) . . . . ?
B7 B6 B8 Cs1 -112.68(16) . . . . ?
B7 B6 B8 Cs1 178.1(3) . . . 3_766 ?
B7 B6 B9 B8 132.8(2) . . . . ?
B7 B6 B9 B10 49.12(17) . . . . ?
B7 B6 B9 C13 105.1(2) . . . . ?
B7 B6 B9 Cs1 -160.42(15) . . . . ?
B7 B9 B10 B1 84.8(2) . . . . ?
B7 B9 B10 B4 25.68(18) . . . . ?
B7 B9 B10 C13 147.5(2) . . . . ?
B7 B9 C13 B8 92.9(2) . . . . ?
B7 B9 C13 B10 -30.06(19) . . . . ?
B7 B9 C13 P1 -150.74(17) . . . . ?
B7 B10 C13 B8 -31.8(3) . . . . ?
B7 B10 C13 B9 27.68(18) . . . . ?
B7 B10 C13 P1 138.30(19) . . . . ?
B8 B3 B5 B2 -119.0(2) . . . . ?
B8 B3 B5 B4 -70.3(2) . . . . ?
B8 B3 B5 B6 32.67(17) . . . . ?
B8 B3 B5 B7 -8.2(2) . . . . ?
B8 B3 B6 B5 -140.5(2) . . . . ?
B8 B3 B6 B7 -101.3(2) . . . . ?
B8 B3 B6 B9 -38.26(19) . . . . ?
B8 B3 C14 B1 73.8(2) . . . . ?
B8 B3 C14 B2 132.29(17) . . . . ?
B8 B3 C14 P2 -101.81(18) . . . . ?
B8 B6 B7 B4 -68.2(2) . . . . ?
B8 B6 B7 B5 -110.4(2) . . . . ?
B8 B6 B7 B9 42.95(18) . . . . ?
B8 B6 B7 B10 -6.4(2) . . . . ?
B8 B6 B9 B7 -132.8(2) . . . . ?
B8 B6 B9 B10 -83.64(18) . . . . ?
B8 B6 B9 C13 -27.67(17) . . . . ?
B8 B6 B9 Cs1 66.82(13) . . . . ?
B8 B9 B10 B1 -21.1(2) . . . . ?
B8 B9 B10 B4 -80.2(2) . . . . ?
B8 B9 B10 B7 -105.89(18) . . . . ?
B8 B9 B10 C13 41.58(16) . . . . ?
B8 B9 C13 B10 -123.0(2) . . . . ?
B8 B9 C13 P1 116.3(2) . . . . ?
B8 C13 P1 C1 -116.1(2) . . . . ?
B8 C13 P1 C7 129.5(2) . . . . ?
B8 C13 P1 Cs1 -31.10(19) . . . 3_766 ?
B8 C13 P1 Cs1 37.39(19) . . . . ?
B8 C13 P1 O2 6.8(2) . . . . ?
B9 B6 B7 B4 -111.2(2) . . . . ?
B9 B6 B7 B5 -153.3(2) . . . . ?
B9 B6 B7 B10 -49.40(17) . . . . ?
B9 B6 B8 B3 141.91(19) . . . . ?
B9 B6 B8 C13 29.83(19) . . . . ?
B9 B6 B8 Cs1 -71.68(13) . . . . ?
B9 B6 B8 Cs1 -140.9(4) . . . 3_766 ?
B9 B7 B10 B1 -119.47(19) . . . . ?
B9 B7 B10 B4 -151.1(2) . . . . ?
B9 B7 B10 C13 -27.08(17) . . . . ?
B9 B8 C13 B10 58.7(2) . . . . ?
B9 B8 C13 P1 -111.9(2) . . . . ?
B9 B10 C13 B8 -59.4(2) . . . . ?
B9 B10 C13 P1 110.6(2) . . . . ?
B9 C13 P1 C1 159.40(17) . . . . ?
B9 C13 P1 C7 45.1(2) . . . . ?
B9 C13 P1 Cs1 -115.57(18) . . . 3_766 ?
B9 C13 P1 Cs1 -47.08(17) . . . . ?
B9 C13 P1 O2 -77.6(2) . . . . ?
B10 B1 B2 B3 66.11(19) . . . . ?
B10 B1 B2 B4 -34.42(17) . . . . ?
B10 B1 B2 B5 5.8(2) . . . . ?
B10 B1 B2 C14 109.1(2) . . . . ?
B10 B1 B4 B2 140.61(19) . . . . ?
B10 B1 B4 B5 100.9(2) . . . . ?
B10 B1 B4 B7 38.58(19) . . . . ?
B10 B1 C14 B2 -95.0(2) . . . . ?
B10 B1 C14 B3 -37.4(3) . . . . ?
B10 B1 C14 P2 137.89(19) . . . . ?
B10 B4 B5 B2 112.5(2) . . . . ?
B10 B4 B5 B3 63.3(2) . . . . ?
B10 B4 B5 B6 1.2(2) . . . . ?
B10 B4 B5 B7 -41.07(18) . . . . ?
B10 B4 B7 B5 134.21(19) . . . . ?
B10 B4 B7 B6 92.7(2) . . . . ?
B10 B4 B7 B9 28.32(19) . . . . ?
B10 B7 B9 B6 122.08(18) . . . . ?
B10 B7 B9 B8 82.25(18) . . . . ?
B10 B7 B9 C13 27.77(18) . . . . ?
B10 B7 B9 Cs1 161.5(3) . . . . ?
B10 B9 C13 B8 123.0(2) . . . . ?
B10 B9 C13 P1 -120.7(2) . . . . ?
B10 C13 P1 C1 74.7(2) . . . . ?
B10 C13 P1 C7 -39.7(2) . . . . ?
B10 C13 P1 Cs1 159.7(2) . . . 3_766 ?
B10 C13 P1 Cs1 -131.8(2) . . . . ?
B10 C13 P1 O2 -162.4(2) . . . . ?
C1 C2 C3 C4 2.2(5) . . . . ?
C2 C1 C6 C5 -0.6(4) . . . . ?
C2 C1 P1 C7 159.9(2) . . . . ?
C2 C1 P1 C13 40.8(2) . . . . ?
C2 C1 P1 Cs1 -44.8(2) . . . 3_766 ?
C2 C1 P1 Cs1 -72.3(3) . . . . ?
C2 C1 P1 O2 -83.4(2) . . . . ?
C2 C3 C4 C5 -1.2(5) . . . . ?
C3 C4 C5 C6 -0.6(5) . . . . ?
C4 C5 C6 C1 1.5(4) . . . . ?
C6 C1 C2 C3 -1.3(4) . . . . ?
C6 C1 C2 Cs1 -129.0(2) . . . 3_766 ?
C6 C1 P1 C7 -26.3(2) . . . . ?
C6 C1 P1 C13 -145.4(2) . . . . ?
C6 C1 P1 Cs1 128.9(2) . . . 3_766 ?
C6 C1 P1 Cs1 101.5(2) . . . . ?
C6 C1 P1 O2 90.3(2) . . . . ?
C7 C8 C9 C10 1.6(5) . . . . ?
C8 C7 C12 C11 0.2(4) . . . . ?
C8 C7 P1 C1 126.7(2) . . . . ?
C8 C7 P1 C13 -114.0(2) . . . . ?
C8 C7 P1 Cs1 17.4(4) . . . 3_766 ?
C8 C7 P1 Cs1 -30.9(2) . . . . ?
C8 C7 P1 O2 10.0(3) . . . . ?
C8 C9 C10 C11 -1.8(5) . . . . ?
C9 C10 C11 C12 1.2(5) . . . . ?
C10 C11 C12 C7 -0.4(5) . . . . ?
C12 C7 C8 C9 -0.8(4) . . . . ?
C12 C7 P1 C1 -51.0(3) . . . . ?
C12 C7 P1 C13 68.3(3) . . . . ?
C12 C7 P1 Cs1 151.4(2) . . . . ?
C12 C7 P1 Cs1 -160.26(16) . . . 3_766 ?
C12 C7 P1 O2 -167.7(2) . . . . ?
C13 B8 B9 B6 -145.1(2) . . . . ?
C13 B8 B9 B7 -103.9(2) . . . . ?
C13 B8 B9 B10 -43.30(16) . . . . ?
C13 B8 B9 Cs1 108.98(15) . . . . ?
C13 B9 B10 B1 -62.7(2) . . . . ?
C13 B9 B10 B4 -121.8(2) . . . . ?
C13 B9 B10 B7 -147.5(2) . . . . ?
C14 B1 B2 B3 -43.03(16) . . . . ?
C14 B1 B2 B4 -143.5(2) . . . . ?
C14 B1 B2 B5 -103.3(2) . . . . ?
C14 B1 B4 B2 31.04(19) . . . . ?
C14 B1 B4 B5 -8.7(3) . . . . ?
C14 B1 B4 B7 -71.0(3) . . . . ?
C14 B1 B4 B10 -109.6(2) . . . . ?
C14 B2 B3 B5 -146.7(2) . . . . ?
C14 B2 B3 B6 -121.3(2) . . . . ?
C14 B2 B3 B8 -60.3(2) . . . . ?
C14 B2 B4 B1 -28.89(18) . . . . ?
C14 B2 B4 B5 105.2(2) . . . . ?
C14 B2 B4 B7 81.1(2) . . . . ?
C14 B2 B4 B10 12.5(3) . . . . ?
C14 B2 B5 B3 28.62(18) . . . . ?
C14 B2 B5 B4 -93.6(2) . . . . ?
C14 B2 B5 B6 1.2(3) . . . . ?
C14 B2 B5 B7 -68.1(3) . . . . ?
C14 B3 B5 B2 -27.62(18) . . . . ?
C14 B3 B5 B4 21.1(2) . . . . ?
C14 B3 B5 B6 124.0(2) . . . . ?
C14 B3 B5 B7 83.1(2) . . . . ?
C14 B3 B6 B5 -85.4(3) . . . . ?
C14 B3 B6 B7 -46.2(3) . . . . ?
C14 B3 B6 B8 55.1(2) . . . . ?
C14 B3 B6 B9 16.8(3) . . . . ?
C15 C16 C17 C18 0.5(4) . . . . ?
C16 C15 C20 C19 0.6(4) . . . . ?
C16 C15 P2 C14 -55.1(3) . . . . ?
C16 C15 P2 C21 60.5(3) . . . . ?
C16 C15 P2 Cs1 -153.8(2) . . . 3_766 ?
C16 C15 P2 O1 178.6(2) . . . . ?
C16 C17 C18 C19 0.1(4) . . . . ?
C17 C18 C19 C20 -0.3(4) . . . . ?
C18 C19 C20 C15 -0.1(4) . . . . ?
C20 C15 C16 C17 -0.8(4) . . . . ?
C20 C15 P2 C14 122.9(2) . . . . ?
C20 C15 P2 C21 -121.5(2) . . . . ?
C20 C15 P2 Cs1 24.2(2) . . . 3_766 ?
C20 C15 P2 O1 -3.4(2) . . . . ?
C21 C22 C23 C24 0.8(4) . . . . ?
C22 C21 C26 C25 -0.6(4) . . . . ?
C22 C21 P2 C14 -137.9(2) . . . . ?
C22 C21 P2 C15 105.3(2) . . . . ?
C22 C21 P2 Cs1 -26.6(3) . . . 3_766 ?
C22 C21 P2 O1 -11.7(2) . . . . ?
C22 C23 C24 C25 -0.9(4) . . . . ?
C23 C24 C25 C26 0.3(4) . . . . ?
C24 C25 C26 C21 0.5(4) . . . . ?
C26 C21 C22 C23 0.0(4) . . . . ?
C26 C21 P2 C14 41.9(2) . . . . ?
C26 C21 P2 C15 -74.9(2) . . . . ?
C26 C21 P2 Cs1 153.22(18) . . . 3_766 ?
C26 C21 P2 O1 168.1(2) . . . . ?
C27 C28 C29 C30 0.2(3) . . . . ?
C27 C28 C29 C34 178.3(3) . . . . ?
C27 C28 C29 Co1 -59.61(19) . . . . ?
C28 C27 C31 C30 -0.3(3) . . . . ?
C28 C27 C31 C36 -178.0(3) . . . . ?
C28 C27 C31 Co1 59.0(2) . . . . ?
C28 C29 C30 C31 -0.4(3) . . . . ?
C28 C29 C30 C35 178.8(3) . . . . ?
C28 C29 C30 Co1 -59.52(19) . . . . ?
C29 C30 C31 C27 0.4(3) . . . . ?
C29 C30 C31 C36 178.3(3) . . . . ?
C29 C30 C31 Co1 -58.87(19) . . . . ?
C31 C27 C28 C29 0.0(3) . . . . ?
C31 C27 C28 C33 178.7(3) . . . . ?
C31 C27 C28 Co1 -59.3(2) . . . . ?
C32 C27 C28 C29 -178.0(3) . . . . ?
C32 C27 C28 C33 0.6(5) . . . . ?
C32 C27 C28 Co1 122.6(3) . . . . ?
C32 C27 C31 C30 177.8(3) . . . . ?
C32 C27 C31 C36 0.1(5) . . . . ?
C32 C27 C31 Co1 -122.9(3) . . . . ?
C33 C28 C29 C30 -178.4(3) . . . . ?
C33 C28 C29 C34 -0.3(5) . . . . ?
C33 C28 C29 Co1 121.8(3) . . . . ?
C34 C29 C30 C31 -178.4(3) . . . . ?
C34 C29 C30 C35 0.8(5) . . . . ?
C34 C29 C30 Co1 122.5(3) . . . . ?
C35 C30 C31 C27 -178.8(3) . . . . ?
C35 C30 C31 C36 -0.9(5) . . . . ?
C35 C30 C31 Co1 121.9(3) . . . . ?
C37 C38 C39 C40 0.1(3) . . . . ?
C37 C38 C39 C44 178.4(3) . . . . ?
C37 C38 C39 Co1 -59.28(18) . . . . ?
C38 C37 C41 C40 0.3(3) . . . . ?
C38 C37 C41 C46 -178.3(3) . . . . ?
C38 C37 C41 Co1 58.67(18) . . . . ?
C38 C39 C40 C41 0.0(3) . . . . ?
C38 C39 C40 C45 177.9(3) . . . . ?
C38 C39 C40 Co1 -59.75(18) . . . . ?
C39 C40 C41 C37 -0.2(3) . . . . ?
C39 C40 C41 C46 178.3(3) . . . . ?
C39 C40 C41 Co1 -59.18(18) . . . . ?
C41 C37 C38 C39 -0.2(3) . . . . ?
C41 C37 C38 C43 178.8(2) . . . . ?
C41 C37 C38 Co1 -59.18(18) . . . . ?
C42 C37 C38 C39 -177.4(3) . . . . ?
C42 C37 C38 C43 1.6(4) . . . . ?
C42 C37 C38 Co1 123.6(3) . . . . ?
C42 C37 C41 C40 177.4(3) . . . . ?
C42 C37 C41 C46 -1.1(4) . . . . ?
C42 C37 C41 Co1 -124.2(3) . . . . ?
C43 C38 C39 C40 -178.9(2) . . . . ?
C43 C38 C39 C44 -0.7(4) . . . . ?
C43 C38 C39 Co1 121.7(3) . . . . ?
C44 C39 C40 C41 -178.3(3) . . . . ?
C44 C39 C40 C45 -0.4(5) . . . . ?
C44 C39 C40 Co1 122.0(3) . . . . ?
C45 C40 C41 C37 -178.1(3) . . . . ?
C45 C40 C41 C46 0.4(5) . . . . ?
C45 C40 C41 Co1 122.9(3) . . . . ?
Co1 C27 C28 C29 59.35(19) . . . . ?
Co1 C27 C28 C33 -122.0(3) . . . . ?
Co1 C27 C31 C30 -59.3(2) . . . . ?
Co1 C27 C31 C36 123.0(3) . . . . ?
Co1 C28 C29 C30 59.83(19) . . . . ?
Co1 C28 C29 C34 -122.1(3) . . . . ?
Co1 C29 C30 C31 59.13(19) . . . . ?
Co1 C29 C30 C35 -121.6(3) . . . . ?
Co1 C30 C31 C27 59.3(2) . . . . ?
Co1 C30 C31 C36 -122.9(3) . . . . ?
Co1 C37 C38 C39 58.93(18) . . . . ?
Co1 C37 C38 C43 -122.0(3) . . . . ?
Co1 C37 C41 C40 -58.42(19) . . . . ?
Co1 C37 C41 C46 123.1(3) . . . . ?
Co1 C38 C39 C40 59.42(18) . . . . ?
Co1 C38 C39 C44 -122.3(3) . . . . ?
Co1 C39 C40 C41 59.77(18) . . . . ?
Co1 C39 C40 C45 -122.4(3) . . . . ?
Co1 C40 C41 C37 59.02(18) . . . . ?
Co1 C40 C41 C46 -122.5(3) . . . . ?
Cs1 B8 B9 B6 105.91(14) . . . . ?
Cs1 B8 B9 B6 156.3(2) 3_766 . . . ?
Cs1 B8 B9 B7 147.16(16) . . . . ?
Cs1 B8 B9 B7 -162.42(18) 3_766 . . . ?
Cs1 B8 B9 B10 -101.9(2) 3_766 . . . ?
Cs1 B8 B9 B10 -152.28(14) . . . . ?
Cs1 B8 B9 C13 -108.98(15) . . . . ?
Cs1 B8 B9 C13 -58.6(2) 3_766 . . . ?
Cs1 B8 B9 Cs1 50.42(19) 3_766 . . . ?
Cs1 B8 C13 B9 145.04(15) 3_766 . . . ?
Cs1 B8 C13 B9 69.49(14) . . . . ?
Cs1 B8 C13 B10 -156.30(16) 3_766 . . . ?
Cs1 B8 C13 B10 128.16(17) . . . . ?
Cs1 B8 C13 P1 -42.38(19) . . . . ?
Cs1 B8 C13 P1 33.16(19) 3_766 . . . ?
Cs1 B9 B10 B1 -77.1(3) . . . . ?
Cs1 B9 B10 B4 -136.1(2) . . . . ?
Cs1 B9 B10 B7 -161.8(3) . . . . ?
Cs1 B9 B10 C13 -14.4(3) . . . . ?
Cs1 B9 C13 B8 -64.68(14) . . . . ?
Cs1 B9 C13 B10 172.35(14) . . . . ?
Cs1 B9 C13 P1 51.67(16) . . . . ?
Cs1 C2 C3 C4 116.8(3) 3_766 . . . ?
Cs1 O1 P2 C14 -33.2(2) 3_766 . . . ?
Cs1 O1 P2 C15 89.70(17) 3_766 . . . ?
Cs1 O1 P2 C21 -155.13(14) 3_766 . . . ?
Cs1 O2 P1 C1 172.12(10) . . . . ?
Cs1 O2 P1 C1 62.68(13) 3_766 . . . ?
Cs1 O2 P1 C7 -75.26(13) . . . . ?
Cs1 O2 P1 C7 175.30(10) 3_766 . . . ?
Cs1 O2 P1 C13 -61.18(13) 3_766 . . . ?
Cs1 O2 P1 C13 48.26(14) . . . . ?
Cs1 O2 P1 Cs1 -109.44(12) 3_766 . . . ?
Cs1 O2 P1 Cs1 109.44(12) . . . 3_766 ?
P1 C1 C2 C3 172.7(2) . . . . ?
P1 C1 C2 Cs1 45.01(19) . . . 3_766 ?
P1 C1 C6 C5 -174.4(2) . . . . ?
P1 C7 C8 C9 -178.6(2) . . . . ?
P1 C7 C12 C11 177.9(2) . . . . ?
P2 C15 C16 C17 177.2(2) . . . . ?
P2 C15 C20 C19 -177.5(2) . . . . ?
P2 C21 C22 C23 179.8(2) . . . . ?
P2 C21 C26 C25 179.6(2) . . . . ?
