#------------------------------------------------------------------------------
#$Date: 2025-11-29 19:22:20 +0100 (Sat 29 de Nov de 2025) $
#$Revision: 303617 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/57/1575792.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_1575792
loop_
_publ_author_name
'Schulz, Annika'
'Heinz, Myron'
'Holthausen, Max C.'
'Hadlington, Terrance J.'
_publ_section_title
;
 The path to an open-shell metallo-germylene: direct ligation, or
 reduction and metathesis?
;
_journal_issue                   43
_journal_name_full               'Chemical science'
_journal_page_first              20265
_journal_page_last               20274
_journal_paper_doi               10.1039/d5sc04265h
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C58 H79 Co Ge N3 P Si, C32 H12 B F24'
_chemical_formula_sum            'C90 H91 B Co F24 Ge N3 P Si'
_chemical_formula_weight         1872.04
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-09-10 deposited with the CCDC.	2025-09-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   32.500(7)
_cell_length_b                   19.920(4)
_cell_length_c                   28.050(6)
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.50
_cell_measurement_theta_min      1.92
_cell_volume                     18160(7)
_computing_cell_refinement       'STOE X-AREA 1.76'
_computing_data_collection       'STOE X-AREA 1.76'
_computing_data_reduction
;
X-Area Integrate 2.5.18.0 (STOE, 2024)
X-Area LANA 2.8.4 (STOE, 2024)
;
_computing_molecular_graphics    'MERCURY 2020.1'
_computing_publication_material  'MERCURY 2020.1'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    SHELXT-2018/2
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0481
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            151789
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.174
_diffrn_source                   'Genix 3D HF Mo'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    0.639
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.765
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in: F. R. Ahmed (Editor), "Crystallographic
Computing", Munksgaard, Copenhagen (1970), 255 - 270. Afterwards scaling of
reflection intensities was performed within STOE LANA. J. Koziskova, F. Hahn,
J. Richter, J. Kozisek, Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136-140.
;
_exptl_crystal_colour            green-purple
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_description       block
_exptl_crystal_F_000             7688
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.23
_refine_diff_density_max         2.095
_refine_diff_density_min         -1.238
_refine_diff_density_rms         0.078
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.349(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2274
_refine_ls_number_reflns         35383
_refine_ls_number_restraints     102
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0601
_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)+(0.0979P)²+5.7474P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1544
_refine_ls_wR_factor_ref         0.1673
_reflns_Friedel_coverage         0.947
_reflns_Friedel_fraction_full    0.986
_reflns_Friedel_fraction_max     0.986
_reflns_number_gt                27222
_reflns_number_total             35383
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc04265h3.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 1575788--1575792.cif.'
_cod_original_cell_volume        18160(6)
_cod_database_code               1575792
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -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
Ge1 Ge 0.45985(2) 0.52533(4) 0.59094(3) 0.03544(18) Uani 1 1 d . . . . .
Co2 Co 0.26277(3) 0.98983(4) 0.95204(4) 0.0325(2) Uani 1 1 d . . . . .
Ge2 Ge 0.21125(2) 1.01053(3) 0.89847(3) 0.03689(19) Uani 1 1 d . . . . .
Co1 Co 0.51140(3) 0.50384(4) 0.53663(3) 0.0285(2) Uani 1 1 d . . . . .
P1 P 0.47464(6) 0.41790(9) 0.50821(6) 0.0342(4) Uani 1 1 d . . . . .
P2 P 0.22733(6) 0.90149(9) 0.97797(7) 0.0385(4) Uani 1 1 d . . . . .
Si2 Si 0.22472(7) 0.85724(10) 0.86869(8) 0.0433(5) Uani 1 1 d D . . . .
Si1 Si 0.47565(6) 0.37333(10) 0.61498(7) 0.0356(4) Uani 1 1 d . . . . .
C88 C 0.6740(2) 0.5850(3) 0.8202(2) 0.0324(15) Uani 1 1 d . . . . .
H88 H 0.688152 0.626559 0.822623 0.039 Uiso 1 1 calc R U . . .
C122 C 0.2954(2) 1.0725(3) 0.9436(2) 0.0294(14) Uani 1 1 d . . . . .
F12 F 0.73290(17) 0.6687(2) 0.9933(2) 0.0704(15) Uani 1 1 d . . . . .
C71 C 0.7481(2) 0.4451(3) 0.9603(3) 0.0343(15) Uani 1 1 d . . . . .
F9 F 0.74540(18) 0.3747(2) 1.02819(17) 0.0609(13) Uani 1 1 d . . . . .
N2 N 0.53603(19) 0.6483(3) 0.5412(2) 0.0395(14) Uani 1 1 d . . . . .
F31 F 0.4836(2) 1.1261(3) 0.45776(19) 0.0820(19) Uani 1 1 d . . . . .
C67 C 0.7512(2) 0.5148(3) 0.8885(2) 0.0269(14) Uani 1 1 d . . . . .
F30 F 0.49918(17) 1.1496(3) 0.82470(19) 0.0717(15) Uani 1 1 d . . . . .
F32 F 0.4506(2) 1.1580(3) 0.5189(2) 0.0818(18) Uani 1 1 d . . . . .
C84 C 0.6730(2) 0.4669(4) 0.8181(3) 0.0362(16) Uani 1 1 d . . . . .
H84 H 0.686793 0.424865 0.818859 0.043 Uiso 1 1 calc R U . . .
C72 C 0.7480(2) 0.4516(3) 0.9107(2) 0.0293(14) Uani 1 1 d . . . . .
H72 H 0.745733 0.412423 0.891508 0.035 Uiso 1 1 calc R U . . .
C83 C 0.6969(2) 0.5253(3) 0.8206(2) 0.0283(14) Uani 1 1 d . . . . .
F8 F 0.7702(2) 0.3332(2) 0.9639(2) 0.0787(18) Uani 1 1 d . . . . .
C80 C 0.8075(2) 0.6119(3) 0.8291(2) 0.0301(14) Uani 1 1 d . . . . .
H80 H 0.817773 0.590878 0.857076 0.036 Uiso 1 1 calc R U . . .
F10 F 0.76588(19) 0.6117(2) 1.04532(16) 0.0687(16) Uani 1 1 d . . . . .
F11 F 0.79782(16) 0.6570(2) 0.9867(2) 0.0666(15) Uani 1 1 d . . . . .
C173 C 0.5230(2) 0.9400(3) 0.6885(3) 0.0349(15) Uani 1 1 d . . . . .
B1 B 0.7467(2) 0.5215(4) 0.8297(3) 0.0275(16) Uani 1 1 d . . . . .
C161 C 0.5045(2) 0.9458(4) 0.5251(3) 0.0374(16) Uani 1 1 d . . . . .
C109 C 0.2155(3) 0.8359(4) 0.9338(3) 0.0450(19) Uani 1 1 d . . . . .
H10A H 0.186164 0.823445 0.937528 0.054 Uiso 1 1 calc R U . . .
H10B H 0.232049 0.795759 0.941706 0.054 Uiso 1 1 calc R U . . .
N6 N 0.33686(17) 1.0799(3) 0.9355(2) 0.0352(13) Uani 1 1 d . . . . .
C157 C 0.5007(2) 1.0010(3) 0.6032(3) 0.0324(16) Uani 1 1 d . . . . .
C137 C 0.3657(2) 1.0252(4) 0.9276(3) 0.0374(17) Uani 1 1 d . . . . .
C159 C 0.4926(2) 1.0625(3) 0.5279(3) 0.0367(16) Uani 1 1 d . . . . .
F42 F 0.36292(16) 1.1462(2) 0.63126(18) 0.0606(13) Uani 1 1 d . . . . .
F27 F 0.64182(15) 1.1299(3) 0.6575(2) 0.0695(15) Uani 1 1 d . . . . .
N3 N 0.58846(17) 0.5854(3) 0.5536(2) 0.0329(12) Uani 1 1 d . . . . .
F40 F 0.31347(13) 1.0971(3) 0.6682(3) 0.0815(19) Uani 1 1 d . . . . .
N4 N 0.20329(18) 0.9371(3) 0.8590(2) 0.0391(14) Uani 1 1 d . . . . .
N1 N 0.45076(17) 0.4494(3) 0.6278(2) 0.0327(12) Uani 1 1 d . . . . .
F7 F 0.70620(19) 0.3491(3) 0.9690(2) 0.0739(16) Uani 1 1 d . . . . .
N5 N 0.28239(17) 1.1374(3) 0.9489(2) 0.0335(12) Uani 1 1 d . . . . .
C154 C 0.5041(2) 1.1026(4) 0.7260(3) 0.0373(16) Uani 1 1 d . . . . .
H154 H 0.480029 1.086276 0.741261 0.045 Uiso 1 1 calc R U . . .
C60 C 0.8048(2) 0.4292(3) 0.8191(3) 0.0341(15) Uani 1 1 d . . . . .
H60 H 0.815452 0.443128 0.849067 0.041 Uiso 1 1 calc R U . . .
C59 C 0.7685(2) 0.4587(3) 0.8023(2) 0.0307(14) Uani 1 1 d . . . . .
C69 C 0.7569(2) 0.5626(3) 0.9689(3) 0.0335(15) Uani 1 1 d . . . . .
C19 C 0.4619(2) 0.3512(4) 0.5512(3) 0.0424(18) Uani 1 1 d . . . . .
H19A H 0.476655 0.309704 0.542018 0.051 Uiso 1 1 calc R U . . .
H19B H 0.432003 0.341804 0.549345 0.051 Uiso 1 1 calc R U . . .
C1 C 0.4171(2) 0.4572(3) 0.6608(2) 0.0334(15) Uani 1 1 d . . . . .
C32 C 0.5472(2) 0.5825(3) 0.5471(2) 0.0317(14) Uani 1 1 d . . . . .
C10 C 0.4685(3) 0.4678(5) 0.7288(3) 0.054(2) Uani 1 1 d . . . . .
H10 H 0.486932 0.446230 0.704673 0.064 Uiso 1 1 calc R U . . .
C70 C 0.7528(2) 0.5001(3) 0.9898(3) 0.0352(16) Uani 1 1 d . . . . .
H70 H 0.753256 0.495090 1.023512 0.042 Uiso 1 1 calc R U . . .
C178 C 0.5123(3) 0.9200(4) 0.7347(3) 0.0454(19) Uani 1 1 d . . . . .
H178 H 0.488466 0.938922 0.749009 0.055 Uiso 1 1 calc R U . . .
C76 C 0.7582(2) 0.6212(4) 0.7673(3) 0.0363(16) Uani 1 1 d . . . . .
H76 H 0.733382 0.607119 0.752413 0.044 Uiso 1 1 calc R U . . .
F25 F 0.60601(16) 1.1965(3) 0.6157(2) 0.0693(15) Uani 1 1 d . . . . .
C90 C 0.6089(2) 0.6519(4) 0.8153(3) 0.049(2) Uani 1 1 d . . . . .
F41 F 0.3598(3) 1.1493(4) 0.7061(3) 0.1198(10) Uani 1 1 d . . . . .
F18 F 0.7548(2) 0.6615(4) 0.6694(3) 0.104(3) Uani 1 1 d . . . . .
C164 C 0.5111(3) 0.8829(4) 0.4979(3) 0.0470(19) Uani 1 1 d . . . . .
C160 C 0.4978(3) 1.0048(4) 0.5016(3) 0.0388(17) Uani 1 1 d . . . . .
H160 H 0.496829 1.006044 0.467777 0.047 Uiso 1 1 calc R U . . .
C162 C 0.5054(2) 0.9442(3) 0.5754(3) 0.0341(15) Uani 1 1 d . . . . .
H162 H 0.509537 0.902259 0.590790 0.041 Uiso 1 1 calc R U . . .
C150 C 0.5542(2) 1.0968(3) 0.6651(3) 0.0353(16) Uani 1 1 d . . . . .
H150 H 0.565263 1.076685 0.637187 0.042 Uiso 1 1 calc R U . . .
C61 C 0.8258(2) 0.3806(4) 0.7937(3) 0.0399(17) Uani 1 1 d . . . . .
C52 C 0.6246(2) 0.4836(4) 0.5277(3) 0.0359(16) Uani 1 1 d . . . . .
C73 C 0.7630(2) 0.6237(4) 0.9990(3) 0.0420(17) Uani 1 1 d . . . . .
C75 C 0.77045(19) 0.5891(3) 0.8089(2) 0.0285(14) Uani 1 1 d . . . . .
C149 C 0.5182(2) 1.0693(3) 0.6846(2) 0.0338(15) Uani 1 1 d . . . . .
C35 C 0.4949(2) 0.6702(3) 0.5286(3) 0.0390(16) Uani 1 1 d . . . . .
C47 C 0.6154(2) 0.5282(3) 0.5643(3) 0.0336(15) Uani 1 1 d . . . . .
C31 C 0.4168(2) 0.5112(5) 0.4753(3) 0.045(2) Uani 1 1 d . . . . .
H31 H 0.435707 0.544103 0.486390 0.054 Uiso 1 1 calc R U . . .
C92 C 0.1786(2) 0.9716(4) 0.7789(3) 0.0410(17) Uani 1 1 d . . . . .
F13 F 0.8954(2) 0.6360(4) 0.8401(3) 0.079(3) Uani 0.804(17) 1 d . . P A 1
C62 C 0.8115(3) 0.3578(4) 0.7504(3) 0.050(2) Uani 1 1 d . . . . .
H62 H 0.825560 0.323597 0.733375 0.060 Uiso 1 1 calc R U . . .
C165 C 0.4473(2) 0.9951(4) 0.6721(3) 0.0372(17) Uani 1 1 d . . . . .
C91 C 0.1700(2) 0.9496(3) 0.8253(3) 0.0371(16) Uani 1 1 d . . . . .
C167 C 0.3852(2) 0.9278(4) 0.6816(3) 0.049(2) Uani 1 1 d . . . . .
F20 F 0.62646(19) 0.6961(3) 0.7871(2) 0.0761(17) Uani 1 1 d . . . . .
C170 C 0.4222(2) 1.0509(4) 0.6690(3) 0.0370(16) Uani 1 1 d . . . . .
H170 H 0.434557 1.093680 0.664864 0.044 Uiso 1 1 calc R U . . .
F29 F 0.5293(2) 1.2412(4) 0.8044(3) 0.108(3) Uani 1 1 d . . . . .
C130 C 0.2111(2) 1.1752(4) 0.9340(3) 0.0418(17) Uani 1 1 d . . . . .
C40 C 0.4673(3) 0.6893(4) 0.5653(3) 0.0461(19) Uani 1 1 d . . . . .
C172 C 0.3539(2) 1.1084(4) 0.6689(3) 0.0445(18) Uani 1 1 d . . . . .
C6 C 0.4245(2) 0.4639(4) 0.7097(3) 0.0373(16) Uani 1 1 d . . . . .
F26 F 0.62917(18) 1.2303(3) 0.6833(2) 0.087(2) Uani 1 1 d . . . . .
C50 C 0.6696(2) 0.4271(4) 0.5847(3) 0.054(2) Uani 1 1 d . . . . .
H50 H 0.688412 0.391879 0.591490 0.065 Uiso 1 1 calc R U . . .
C26 C 0.4258(2) 0.4424(4) 0.4827(3) 0.0439(19) Uani 1 1 d . . . . .
C126 C 0.2355(2) 1.1544(4) 1.0164(3) 0.0401(17) Uani 1 1 d . . . . .
F21 F 0.6083(2) 0.6817(3) 0.8578(2) 0.0820(18) Uani 1 1 d . . . . .
C153 C 0.5232(2) 1.1562(4) 0.7447(3) 0.0439(18) Uani 1 1 d . . . . .
C155 C 0.6125(3) 1.1769(4) 0.6612(3) 0.050(2) Uani 1 1 d . . . . .
C29 C 0.3532(3) 0.4812(8) 0.4371(3) 0.079(4) Uani 1 1 d . . . . .
H29 H 0.328453 0.493904 0.421489 0.094 Uiso 1 1 calc R U . . .
C89 C 0.6075(2) 0.4023(5) 0.8120(4) 0.081(4) Uani 1 1 d D . . . .
C17 C 0.5531(3) 0.3700(6) 0.6662(4) 0.082(3) Uani 1 1 d . . . . .
H17A H 0.548586 0.322451 0.673521 0.122 Uiso 1 1 calc R U . . .
H17B H 0.539806 0.397763 0.690582 0.122 Uiso 1 1 calc R U . . .
H17C H 0.582679 0.379375 0.665744 0.122 Uiso 1 1 calc R U . . .
C143 C 0.3581(3) 0.9951(4) 1.0166(3) 0.051(2) Uani 1 1 d . . . . .
H143 H 0.328152 1.005418 1.012563 0.061 Uiso 1 1 calc R U . . .
C93 C 0.1464(3) 0.9861(4) 0.7490(3) 0.051(2) Uani 1 1 d . . . . .
H93 H 0.151947 1.001982 0.717713 0.061 Uiso 1 1 calc R U . . .
C138 C 0.3758(2) 0.9832(4) 0.9658(3) 0.0442(19) Uani 1 1 d . . . . .
C33 C 0.5699(3) 0.6906(4) 0.5436(3) 0.0478(19) Uani 1 1 d . . . . .
H33 H 0.569852 0.738072 0.540419 0.057 Uiso 1 1 calc R U . . .
C134 C 0.2194(3) 1.1834(4) 0.8805(3) 0.0474(19) Uani 1 1 d . . . . .
H134 H 0.240188 1.148840 0.871035 0.057 Uiso 1 1 calc R U . . .
C49 C 0.6596(3) 0.4723(4) 0.6192(3) 0.050(2) Uani 1 1 d . . . . .
H49 H 0.671526 0.468222 0.649945 0.060 Uiso 1 1 calc R U . . .
C158 C 0.4936(2) 1.0603(4) 0.5777(3) 0.0368(16) Uani 1 1 d . . . . .
H158 H 0.489439 1.100816 0.594900 0.044 Uiso 1 1 calc R U . . .
F14 F 0.8621(2) 0.7071(6) 0.8787(4) 0.084(3) Uani 0.804(17) 1 d . . P A 1
C64 C 0.7546(2) 0.4353(4) 0.7582(3) 0.0401(17) Uani 1 1 d . . . . .
H64 H 0.729914 0.453351 0.745454 0.048 Uiso 1 1 calc R U . . .
C16 C 0.5343(3) 0.3864(5) 0.6166(4) 0.058(2) Uani 1 1 d . . . . .
H16 H 0.539066 0.435463 0.611231 0.069 Uiso 1 1 calc R U . . .
F28 F 0.46899(18) 1.2182(3) 0.7789(2) 0.0824(17) Uani 1 1 d . . . . .
F5 F 0.7189(2) 0.3478(4) 0.6872(2) 0.086(3) Uani 0.936(13) 1 d . . P B 1
C74 C 0.7427(3) 0.3765(4) 0.9809(3) 0.048(2) Uani 1 1 d . . . . .
C87 C 0.6313(2) 0.5856(4) 0.8165(3) 0.0360(16) Uani 1 1 d . . . . .
C34 C 0.6028(3) 0.6515(4) 0.5514(3) 0.0477(19) Uani 1 1 d . . . . .
H34 H 0.630462 0.665984 0.554796 0.057 Uiso 1 1 calc R U . . .
C81 C 0.8683(2) 0.6880(4) 0.8331(3) 0.049(2) Uani 1 1 d D . . . .
C94 C 0.1058(3) 0.9781(4) 0.7636(3) 0.052(2) Uani 1 1 d . . . . .
H94 H 0.083941 0.986602 0.741941 0.062 Uiso 1 1 calc R U . . .
F33 F 0.5144(2) 1.1730(3) 0.5145(3) 0.098(2) Uani 1 1 d . . . . .
C56 C 0.6064(3) 0.4887(4) 0.4783(3) 0.0463(19) Uani 1 1 d . . . . .
H56 H 0.576518 0.499594 0.482011 0.056 Uiso 1 1 calc R U . . .
F4 F 0.7790(4) 0.3162(7) 0.6652(4) 0.176(7) Uani 0.936(13) 1 d . . P B 1
F6 F 0.7570(3) 0.4146(5) 0.6531(2) 0.106(3) Uani 0.936(13) 1 d . . P B 1
C123 C 0.3145(2) 1.1824(4) 0.9459(3) 0.0424(17) Uani 1 1 d . . . . .
H123 H 0.312802 1.229735 0.949555 0.051 Uiso 1 1 calc R U . . .
F16 F 0.7938(2) 0.7413(4) 0.6790(3) 0.121(3) Uani 1 1 d . . . . .
C166 C 0.4275(2) 0.9333(4) 0.6784(3) 0.0440(18) Uani 1 1 d . . . . .
H166 H 0.443709 0.893785 0.680587 0.053 Uiso 1 1 calc R U . . .
C95 C 0.0975(3) 0.9580(5) 0.8087(3) 0.051(2) Uani 1 1 d . . . . .
H95 H 0.069664 0.954879 0.818826 0.061 Uiso 1 1 calc R U . . .
C141 C 0.4116(3) 0.9675(5) 0.8756(4) 0.069(3) Uani 1 1 d . . . . .
H141 H 0.424097 0.960922 0.845273 0.083 Uiso 1 1 calc R U . . .
B2 B 0.4976(3) 1.0015(4) 0.6620(3) 0.0375(19) Uani 1 1 d . . . . .
F39 F 0.3274(3) 0.8606(4) 0.6966(3) 0.1198(10) Uani 1 1 d . . . . .
C51 C 0.6524(2) 0.4326(4) 0.5400(3) 0.0480(19) Uani 1 1 d . . . . .
H51 H 0.659613 0.400380 0.516440 0.058 Uiso 1 1 calc R U . . .
C68 C 0.7555(2) 0.5699(3) 0.9188(2) 0.0298(14) Uani 1 1 d . . . . .
H68 H 0.757490 0.613607 0.905378 0.036 Uiso 1 1 calc R U . . .
C125 C 0.2414(2) 1.1550(3) 0.9673(2) 0.0341(15) Uani 1 1 d . . . . .
C168 C 0.3600(3) 0.9837(4) 0.6788(3) 0.048(2) Uani 1 1 d . . . . .
H168 H 0.330981 0.979805 0.681705 0.058 Uiso 1 1 calc R U . . .
C96 C 0.1288(2) 0.9420(4) 0.8408(3) 0.0432(18) Uani 1 1 d . . . . .
C86 C 0.6095(2) 0.5266(4) 0.8144(3) 0.0441(18) Uani 1 1 d . . . . .
H86 H 0.580257 0.527072 0.812781 0.053 Uiso 1 1 calc R U . . .
C131 C 0.2692(3) 1.1360(4) 1.0516(3) 0.0458(19) Uani 1 1 d . . . . .
H131 H 0.295256 1.130055 1.033053 0.055 Uiso 1 1 calc R U . . .
C5 C 0.3913(3) 0.4702(4) 0.7412(3) 0.0456(19) Uani 1 1 d . . . . .
H5 H 0.396401 0.473931 0.774430 0.055 Uiso 1 1 calc R U . . .
C116 C 0.2525(3) 0.8549(4) 1.0273(3) 0.048(2) Uani 1 1 d . . . . .
C36 C 0.4847(2) 0.6710(4) 0.4804(3) 0.0412(17) Uani 1 1 d . . . . .
F48 F 0.5153(3) 0.9098(5) 0.8375(3) 0.1198(10) Uani 1 1 d . . . . .
F19 F 0.57048(16) 0.6474(3) 0.8020(3) 0.096(2) Uani 1 1 d . . . . .
C79 C 0.8298(2) 0.6655(4) 0.8086(3) 0.0388(16) Uani 1 1 d . . . . .
C113 C 0.1065(3) 0.9622(5) 1.0531(3) 0.055(2) Uani 1 1 d . . . . .
H113 H 0.082134 0.974913 1.069551 0.066 Uiso 1 1 calc R U . . .
C110 C 0.1780(2) 0.9258(4) 1.0051(3) 0.0423(17) Uani 1 1 d . . . . .
C39 C 0.4279(3) 0.7081(4) 0.5511(4) 0.059(2) Uani 1 1 d . . . . .
H39 H 0.408563 0.722387 0.574420 0.071 Uiso 1 1 calc R U . . .
C41 C 0.5180(15) 0.6535(15) 0.4427(11) 0.056(11) Uani 0.575(16) 1 d . . P C 1
H41 H 0.545697 0.653368 0.458387 0.067 Uiso 0.575(16) 1 calc R U P C 1
C124 C 0.3488(2) 1.1462(4) 0.9369(3) 0.0429(18) Uani 1 1 d . . . . .
H124 H 0.375852 1.163151 0.932410 0.051 Uiso 1 1 calc R U . . .
C169 C 0.3788(2) 1.0467(4) 0.6716(3) 0.0400(17) Uani 1 1 d . . . . .
C174 C 0.5590(2) 0.9111(4) 0.6696(3) 0.0387(17) Uani 1 1 d . . . . .
H174 H 0.567971 0.924201 0.638804 0.046 Uiso 1 1 calc R U . . .
C139 C 0.4043(3) 0.9329(5) 0.9577(4) 0.061(2) Uani 1 1 d . . . . .
H139 H 0.411787 0.903432 0.982923 0.074 Uiso 1 1 calc R U . . .
C63 C 0.7756(3) 0.3866(4) 0.7322(3) 0.0455(19) Uani 1 1 d . . . . .
C152 C 0.5590(2) 1.1832(4) 0.7246(3) 0.0408(17) Uani 1 1 d . . . . .
H152 H 0.572070 1.221475 0.737935 0.049 Uiso 1 1 calc R U . . .
C77 C 0.7808(2) 0.6736(4) 0.7462(3) 0.0426(18) Uani 1 1 d . . . . .
F22A F 0.6287(5) 0.3625(8) 0.7778(5) 0.067(6) Uiso 0.390(18) 1 d D . P D 2
C142 C 0.3832(2) 1.0197(4) 0.8818(3) 0.047(2) Uani 1 1 d . . . . .
C3 C 0.3441(2) 0.4646(5) 0.6775(3) 0.053(2) Uani 1 1 d . . . . .
H3 H 0.316378 0.463829 0.666845 0.064 Uiso 1 1 calc R U . . .
C44 C 0.4799(3) 0.6927(4) 0.6173(3) 0.059(2) Uani 1 1 d . U . . .
H44 H 0.500103 0.655851 0.623310 0.071 Uiso 1 1 calc R U . . .
C65 C 0.8650(3) 0.3522(5) 0.8134(3) 0.055(2) Uani 1 1 d . . . . .
C82 C 0.7665(3) 0.7058(5) 0.7017(4) 0.063(3) Uani 1 1 d . . . . .
C85 C 0.6306(2) 0.4670(4) 0.8146(3) 0.0455(19) Uani 1 1 d . . . . .
C46A C 0.3741(15) 1.056(2) 0.8436(19) 0.061(15) Uiso 0.425(16) 1 d . . P C 2
H46A H 0.373201 1.102487 0.857856 0.074 Uiso 0.425(16) 1 calc R U P C 2
C2 C 0.3758(2) 0.4591(4) 0.6436(3) 0.0444(18) Uani 1 1 d . . . . .
F22 F 0.5686(3) 0.4058(5) 0.8269(6) 0.109(4) Uani 0.610(18) 1 d D . P D 1
C177 C 0.5351(3) 0.8737(5) 0.7603(3) 0.058(2) Uani 1 1 d . . . . .
C30 C 0.3814(3) 0.5316(7) 0.4524(3) 0.070(3) Uani 1 1 d . . . . .
H30 H 0.375923 0.577870 0.446930 0.084 Uiso 1 1 calc R U . . .
C53 C 0.6214(3) 0.5751(5) 0.6495(3) 0.052(2) Uani 1 1 d . . . . .
H53 H 0.611788 0.616758 0.632969 0.062 Uiso 1 1 calc R U . . .
C100 C 0.1173(3) 0.9227(5) 0.8905(3) 0.061(2) Uani 1 1 d . . . . .
H100 H 0.143505 0.916552 0.908721 0.073 Uiso 1 1 calc R U . . .
C48 C 0.6321(2) 0.5246(4) 0.6100(3) 0.0425(18) Uani 1 1 d . . . . .
C111 C 0.1497(3) 0.8765(4) 1.0202(3) 0.052(2) Uani 1 1 d . . . . .
H111 H 0.155068 0.830423 1.013973 0.062 Uiso 1 1 calc R U . . .
C176 C 0.5705(3) 0.8448(4) 0.7406(3) 0.055(2) Uani 1 1 d . . . . .
H176 H 0.586321 0.812977 0.757943 0.066 Uiso 1 1 calc R U . . .
C151 C 0.5746(2) 1.1518(4) 0.6845(3) 0.0394(17) Uani 1 1 d . . . . .
C115 C 0.1703(3) 0.9920(4) 1.0151(3) 0.0422(19) Uani 1 1 d . . . . .
H115 H 0.189770 1.025392 1.006232 0.051 Uiso 1 1 calc R U . . .
C114 C 0.1340(3) 1.0104(4) 1.0382(3) 0.052(2) Uani 1 1 d . . . . .
H114 H 0.128186 1.056515 1.043773 0.062 Uiso 1 1 calc R U . . .
C27 C 0.3977(2) 0.3947(6) 0.4663(3) 0.059(2) Uani 1 1 d . . . . .
H27 H 0.403656 0.348293 0.469868 0.071 Uiso 1 1 calc R U . . .
F37 F 0.3844(3) 0.8223(4) 0.7175(3) 0.1198(10) Uani 1 1 d . . . . .
C156 C 0.5055(3) 1.1915(5) 0.7874(3) 0.056(2) Uani 1 1 d . . . . .
C163 C 0.4842(3) 1.1287(4) 0.5042(3) 0.052(2) Uani 1 1 d . . . . .
C78 C 0.8170(2) 0.6957(4) 0.7683(3) 0.0422(18) Uani 1 1 d . . . . .
H78 H 0.832407 0.731654 0.755038 0.051 Uiso 1 1 calc R U . . .
F24 F 0.6131(4) 0.3665(7) 0.7752(5) 0.109(4) Uani 0.610(18) 1 d D . P D 1
C57 C 0.6262(3) 0.5463(6) 0.4494(4) 0.073(3) Uani 1 1 d . . . . .
H57A H 0.625493 0.587736 0.468200 0.110 Uiso 1 1 calc R U . . .
H57B H 0.610828 0.552917 0.419673 0.110 Uiso 1 1 calc R U . . .
H57C H 0.654790 0.534814 0.441927 0.110 Uiso 1 1 calc R U . . .
C66 C 0.7592(3) 0.3642(6) 0.6846(4) 0.066(3) Uani 1 1 d D . . . .
C37 C 0.4444(3) 0.6915(4) 0.4684(3) 0.056(2) Uani 1 1 d . . . . .
H37 H 0.436739 0.694955 0.435793 0.067 Uiso 1 1 calc R U . . .
C4 C 0.3517(3) 0.4710(4) 0.7248(3) 0.049(2) Uani 1 1 d . . . . .
H4 H 0.329491 0.475980 0.746503 0.059 Uiso 1 1 calc R U . . .
C58 C 0.6092(3) 0.4232(6) 0.4496(4) 0.069(3) Uani 1 1 d . . . . .
H58A H 0.590402 0.425392 0.422343 0.103 Uiso 1 1 calc R U . . .
H58B H 0.601596 0.385292 0.470049 0.103 Uiso 1 1 calc R U . . .
H58C H 0.637448 0.417115 0.438131 0.103 Uiso 1 1 calc R U . . .
C140 C 0.4218(3) 0.9252(5) 0.9132(4) 0.068(3) Uani 1 1 d . . . . .
H140 H 0.441217 0.890249 0.908220 0.081 Uiso 1 1 calc R U . . .
F15 F 0.8870(4) 0.7389(7) 0.8144(5) 0.136(6) Uani 0.804(17) 1 d . . P A 1
F46 F 0.4840(3) 0.8354(4) 0.8129(3) 0.1198(10) Uani 1 1 d . . . . .
F38 F 0.3707(3) 0.8210(4) 0.6484(3) 0.1198(10) Uani 1 1 d . . . . .
F47 F 0.5447(3) 0.8131(4) 0.8310(3) 0.1198(10) Uani 1 1 d . . . . .
C106 C 0.1981(3) 0.7907(4) 0.8326(4) 0.065(3) Uani 1 1 d . . . . .
H106 H 0.167882 0.795195 0.838387 0.078 Uiso 1 1 calc R U . . .
C128 C 0.1657(2) 1.1906(4) 1.0020(4) 0.056(2) Uani 1 1 d . . . . .
H128 H 0.139306 1.201765 1.014224 0.067 Uiso 1 1 calc R U . . .
C11 C 0.4819(4) 0.5413(6) 0.7339(4) 0.082(3) Uani 1 1 d . . . . .
H11A H 0.478127 0.564472 0.703347 0.123 Uiso 1 1 calc R U . . .
H11B H 0.510942 0.543121 0.743090 0.123 Uiso 1 1 calc R U . . .
H11C H 0.465128 0.563229 0.758369 0.123 Uiso 1 1 calc R U . . .
C135 C 0.2381(3) 1.2522(4) 0.8710(3) 0.063(2) Uani 1 1 d . . . . .
H13A H 0.218524 1.287157 0.880721 0.094 Uiso 1 1 calc R U . . .
H13B H 0.244047 1.256832 0.836940 0.094 Uiso 1 1 calc R U . . .
H13C H 0.263571 1.257056 0.889316 0.094 Uiso 1 1 calc R U . . .
C102 C 0.0926(3) 0.9770(6) 0.9161(4) 0.074(3) Uani 1 1 d . . . . .
H10C H 0.107570 1.019682 0.914606 0.111 Uiso 1 1 calc R U . . .
H10D H 0.088592 0.964188 0.949512 0.111 Uiso 1 1 calc R U . . .
H10E H 0.065747 0.982139 0.900605 0.111 Uiso 1 1 calc R U . . .
C136 C 0.1811(3) 1.1731(5) 0.8495(4) 0.062(2) Uani 1 1 d . . . . .
H13D H 0.167802 1.130582 0.858186 0.094 Uiso 1 1 calc R U . . .
H13E H 0.189058 1.171807 0.815862 0.094 Uiso 1 1 calc R U . . .
H13F H 0.161784 1.210173 0.854773 0.094 Uiso 1 1 calc R U . . .
C129 C 0.1725(2) 1.1927(4) 0.9534(4) 0.052(2) Uani 1 1 d . . . . .
H129 H 0.150861 1.206160 0.932737 0.062 Uiso 1 1 calc R U . . .
C112 C 0.1143(3) 0.8949(5) 1.0440(3) 0.062(2) Uani 1 1 d . . . . .
H112 H 0.095319 0.861533 1.054127 0.074 Uiso 1 1 calc R U . . .
C97 C 0.2224(3) 0.9831(5) 0.7607(4) 0.056(2) Uani 1 1 d . . . . .
H97 H 0.241142 0.957129 0.782166 0.067 Uiso 1 1 calc R U . . .
C133 C 0.2602(3) 1.0704(5) 1.0763(4) 0.071(3) Uani 1 1 d . . . . .
H13G H 0.234595 1.074451 1.094466 0.107 Uiso 1 1 calc R U . . .
H13H H 0.282880 1.059545 1.098076 0.107 Uiso 1 1 calc R U . . .
H13I H 0.257432 1.034733 1.052522 0.107 Uiso 1 1 calc R U . . .
C117 C 0.2426(3) 0.8663(5) 1.0744(3) 0.059(2) Uani 1 1 d . . . . .
H117 H 0.222828 0.899356 1.082923 0.070 Uiso 1 1 calc R U . . .
C127 C 0.1962(2) 1.1726(4) 1.0328(3) 0.0490(19) Uani 1 1 d . . . . .
H127 H 0.190839 1.172491 1.066041 0.059 Uiso 1 1 calc R U . . .
C132 C 0.2757(5) 1.1954(7) 1.0860(5) 0.105(5) Uani 1 1 d . . . . .
H13J H 0.272673 1.237759 1.068564 0.158 Uiso 1 1 calc R U . . .
H13K H 0.303371 1.192945 1.099823 0.158 Uiso 1 1 calc R U . . .
H13L H 0.255192 1.193394 1.111601 0.158 Uiso 1 1 calc R U . . .
C28 C 0.3614(3) 0.4142(8) 0.4449(3) 0.081(4) Uani 1 1 d . . . . .
H28 H 0.341908 0.381255 0.435376 0.098 Uiso 1 1 calc R U . . .
C38 C 0.4165(3) 0.7063(5) 0.5032(4) 0.065(3) Uani 1 1 d . . . . .
H38 H 0.388787 0.715615 0.494572 0.078 Uiso 1 1 calc R U . . .
C119 C 0.2906(3) 0.7807(5) 1.0981(4) 0.072(3) Uani 1 1 d . . . . .
H119 H 0.302786 0.754550 1.122661 0.086 Uiso 1 1 calc R U . . .
F43 F 0.6475(2) 0.8824(4) 0.6612(3) 0.106(2) Uani 1 1 d . . . . .
C120 C 0.3011(3) 0.7712(5) 1.0529(4) 0.071(3) Uani 1 1 d . . . . .
H120 H 0.321857 0.739290 1.045437 0.085 Uiso 1 1 calc R U . . .
C121 C 0.2825(3) 0.8070(4) 1.0162(4) 0.061(2) Uani 1 1 d . . . . .
H121 H 0.290078 0.799039 0.983957 0.073 Uiso 1 1 calc R U . . .
F44 F 0.6127(2) 0.8084(4) 0.6305(3) 0.121(3) Uani 1 1 d . . . . .
C12 C 0.4739(3) 0.4294(8) 0.7764(4) 0.089(4) Uani 1 1 d . . . . .
H12A H 0.467751 0.459508 0.803044 0.133 Uiso 1 1 calc R U . . .
H12B H 0.502387 0.413505 0.779018 0.133 Uiso 1 1 calc R U . . .
H12C H 0.455153 0.390961 0.777116 0.133 Uiso 1 1 calc R U . . .
C118 C 0.2621(4) 0.8282(6) 1.1089(4) 0.074(3) Uani 1 1 d . . . . .
H118 H 0.255346 0.835612 1.141397 0.089 Uiso 1 1 calc R U . . .
C20 C 0.4970(4) 0.3777(6) 0.4556(4) 0.042(2) Uani 0.91(3) 1 d . U P E 1
F17 F 0.7325(3) 0.7411(6) 0.7082(3) 0.166(5) Uani 1 1 d . . . . .
C101 C 0.0930(3) 0.8550(6) 0.8938(4) 0.087(4) Uani 1 1 d . . . . .
H10F H 0.067845 0.858198 0.874740 0.130 Uiso 1 1 calc R U . . .
H10G H 0.085837 0.846043 0.927142 0.130 Uiso 1 1 calc R U . . .
H10H H 0.110206 0.818402 0.881618 0.130 Uiso 1 1 calc R U . . .
C175 C 0.5817(2) 0.8640(4) 0.6948(3) 0.0467(19) Uani 1 1 d . . . . .
F45 F 0.6399(3) 0.7947(6) 0.6992(4) 0.169(5) Uani 1 1 d . . . . .
C15 C 0.4786(3) 0.2361(4) 0.6365(4) 0.062(2) Uani 1 1 d . . . . .
H15A H 0.473027 0.199960 0.659363 0.093 Uiso 1 1 calc R U . . .
H15B H 0.508373 0.241593 0.632837 0.093 Uiso 1 1 calc R U . . .
H15C H 0.466334 0.224738 0.605648 0.093 Uiso 1 1 calc R U . . .
C18 C 0.5578(3) 0.3499(6) 0.5775(4) 0.076(3) Uani 1 1 d . . . . .
H18A H 0.587377 0.356340 0.582115 0.114 Uiso 1 1 calc R U . . .
H18B H 0.549683 0.368018 0.546355 0.114 Uiso 1 1 calc R U . . .
H18C H 0.551275 0.301916 0.578727 0.114 Uiso 1 1 calc R U . . .
C99 C 0.2295(4) 0.9568(7) 0.7108(4) 0.094(4) Uani 1 1 d . . . . .
H99A H 0.219251 0.910649 0.708522 0.140 Uiso 1 1 calc R U . . .
H99B H 0.258983 0.957596 0.703599 0.140 Uiso 1 1 calc R U . . .
H99C H 0.214770 0.985195 0.687893 0.140 Uiso 1 1 calc R U . . .
C13 C 0.4595(3) 0.3028(4) 0.6552(3) 0.055(2) Uani 1 1 d . . . . .
H13 H 0.471981 0.311737 0.687219 0.065 Uiso 1 1 calc R U . . .
C54 C 0.5853(5) 0.5506(8) 0.6789(6) 0.124(6) Uani 1 1 d . . . . .
H54A H 0.595292 0.520760 0.704153 0.187 Uiso 1 1 calc R U . . .
H54B H 0.566157 0.525996 0.658308 0.187 Uiso 1 1 calc R U . . .
H54C H 0.571161 0.589062 0.693173 0.187 Uiso 1 1 calc R U . . .
C179 C 0.6195(3) 0.8353(6) 0.6731(4) 0.069(3) Uani 1 1 d . . . . .
C14 C 0.4139(4) 0.2915(5) 0.6631(5) 0.089(4) Uani 1 1 d . . . . .
H14A H 0.399947 0.288356 0.632137 0.134 Uiso 1 1 calc R U . . .
H14B H 0.402406 0.329205 0.681181 0.134 Uiso 1 1 calc R U . . .
H14C H 0.409728 0.249762 0.680875 0.134 Uiso 1 1 calc R U . . .
C144 C 0.3768(3) 1.0540(6) 1.0406(4) 0.070(3) Uani 1 1 d . . . . .
H14D H 0.363121 1.061420 1.071336 0.104 Uiso 1 1 calc R U . . .
H14E H 0.373410 1.093793 1.020499 0.104 Uiso 1 1 calc R U . . .
H14F H 0.406125 1.045586 1.045920 0.104 Uiso 1 1 calc R U . . .
C171 C 0.3658(3) 0.8608(5) 0.6863(5) 0.072(3) Uani 1 1 d . . . . .
C145 C 0.3607(4) 0.9314(7) 1.0478(5) 0.093(4) Uani 1 1 d . . . . .
H14G H 0.389557 0.921471 1.054917 0.139 Uiso 1 1 calc R U . . .
H14H H 0.348390 0.893479 1.030735 0.139 Uiso 1 1 calc R U . . .
H14I H 0.345693 0.938851 1.077714 0.139 Uiso 1 1 calc R U . . .
C03A C 0.2820(5) 0.8599(12) 0.8543(14) 0.067(8) Uiso 0.425(16) 1 d D U P C 2
H03A H 0.284396 0.876213 0.820653 0.080 Uiso 0.425(16) 1 calc R U P C 2
C104 C 0.3059(7) 0.8964(13) 0.8911(12) 0.065(6) Uani 0.575(16) 1 d . U P C 1
H10I H 0.334705 0.882187 0.888787 0.098 Uiso 0.575(16) 1 calc R U P C 1
H10J H 0.296384 0.891106 0.924051 0.098 Uiso 0.575(16) 1 calc R U P C 1
H10K H 0.303535 0.943560 0.881639 0.098 Uiso 0.575(16) 1 calc R U P C 1
C55 C 0.6570(3) 0.5956(9) 0.6796(6) 0.127(7) Uani 1 1 d . . . . .
H55A H 0.648682 0.632283 0.700795 0.191 Uiso 1 1 calc R U . . .
H55B H 0.679569 0.610843 0.659051 0.191 Uiso 1 1 calc R U . . .
H55C H 0.666234 0.557282 0.698668 0.191 Uiso 1 1 calc R U . . .
C147 C 0.4051(6) 1.1004(12) 0.8174(9) 0.077(6) Uani 0.575(16) 1 d . . P C 1
H14J H 0.426779 1.106707 0.841363 0.115 Uiso 0.575(16) 1 calc R U P C 1
H14K H 0.396756 1.144110 0.804765 0.115 Uiso 0.575(16) 1 calc R U P C 1
H14L H 0.415645 1.072330 0.791437 0.115 Uiso 0.575(16) 1 calc R U P C 1
C45 C 0.4443(4) 0.6840(5) 0.6524(4) 0.074(3) Uani 1 1 d . U . . .
H45A H 0.424254 0.720133 0.647712 0.110 Uiso 1 1 calc R U . . .
H45B H 0.454895 0.685715 0.685091 0.110 Uiso 1 1 calc R U . . .
H45C H 0.430980 0.640556 0.646897 0.110 Uiso 1 1 calc R U . . .
C46 C 0.5013(4) 0.7598(5) 0.6283(4) 0.087(4) Uani 1 1 d . U . . .
H46B H 0.483582 0.796970 0.618272 0.130 Uiso 1 1 calc R U . . .
H46C H 0.527469 0.761980 0.611065 0.130 Uiso 1 1 calc R U . . .
H46D H 0.506475 0.763042 0.662668 0.130 Uiso 1 1 calc R U . . .
C107 C 0.2104(6) 0.7207(5) 0.8470(5) 0.124(6) Uani 1 1 d . . . . .
H10L H 0.196010 0.688040 0.826885 0.186 Uiso 1 1 calc R U . . .
H10M H 0.203071 0.713217 0.880443 0.186 Uiso 1 1 calc R U . . .
H10N H 0.240194 0.715306 0.842990 0.186 Uiso 1 1 calc R U . . .
C148 C 0.3491(10) 1.0180(15) 0.7982(7) 0.113(11) Uani 0.575(16) 1 d . . P C 1
H14M H 0.343626 1.044388 0.769439 0.170 Uiso 0.575(16) 1 calc R U P C 1
H14N H 0.323245 0.998902 0.810108 0.170 Uiso 0.575(16) 1 calc R U P C 1
H14O H 0.368324 0.981658 0.790690 0.170 Uiso 0.575(16) 1 calc R U P C 1
C98 C 0.2341(3) 1.0580(6) 0.7663(5) 0.081(3) Uani 1 1 d . . . . .
H98A H 0.262085 1.065190 0.754399 0.122 Uiso 1 1 calc R U . . .
H98B H 0.232798 1.070464 0.800111 0.122 Uiso 1 1 calc R U . . .
H98C H 0.214789 1.085731 0.748129 0.122 Uiso 1 1 calc R U . . .
C43 C 0.5101(5) 0.5835(8) 0.4196(5) 0.050(4) Uani 0.575(16) 1 d . . P C 1
H43A H 0.513258 0.548325 0.443768 0.075 Uiso 0.575(16) 1 calc R U P C 1
H43B H 0.529987 0.576018 0.393843 0.075 Uiso 0.575(16) 1 calc R U P C 1
H43C H 0.482138 0.582065 0.406609 0.075 Uiso 0.575(16) 1 calc R U P C 1
C180 C 0.5230(4) 0.8550(7) 0.8092(5) 0.093(4) Uani 1 1 d . . . . .
C23 C 0.5290(5) 0.3220(9) 0.3715(5) 0.080(6) Uani 0.91(3) 1 d . . P E 1
H23 H 0.540265 0.303430 0.343189 0.096 Uiso 0.91(3) 1 calc R U P E 1
C24 C 0.5293(7) 0.2867(7) 0.4123(7) 0.118(9) Uani 0.91(3) 1 d . . P E 1
H24 H 0.539634 0.242098 0.412138 0.141 Uiso 0.91(3) 1 calc R U P E 1
C108 C 0.2051(6) 0.7956(6) 0.7786(5) 0.139(7) Uani 1 1 d . . . . .
H10O H 0.234563 0.791725 0.771711 0.208 Uiso 1 1 calc R U . . .
H10P H 0.194948 0.838979 0.767010 0.208 Uiso 1 1 calc R U . . .
H10Q H 0.190225 0.759261 0.762522 0.208 Uiso 1 1 calc R U . . .
C42 C 0.5170(6) 0.7100(10) 0.4031(7) 0.063(5) Uani 0.575(16) 1 d . . P C 1
H42A H 0.540678 0.704501 0.381722 0.094 Uiso 0.575(16) 1 calc R U P C 1
H42B H 0.518305 0.754279 0.418239 0.094 Uiso 0.575(16) 1 calc R U P C 1
H42C H 0.491513 0.706249 0.384653 0.094 Uiso 0.575(16) 1 calc R U P C 1
C05A C 0.3023(6) 0.7904(9) 0.8557(8) 0.058(6) Uiso 0.425(16) 1 d D U P C 2
H05A H 0.331878 0.794932 0.849942 0.087 Uiso 0.425(16) 1 calc R U P C 2
H05B H 0.290106 0.761765 0.831027 0.087 Uiso 0.425(16) 1 calc R U P C 2
H05C H 0.297760 0.770014 0.887081 0.087 Uiso 0.425(16) 1 calc R U P C 2
F3 F 0.89292(17) 0.4014(4) 0.8216(3) 0.093(2) Uani 1 1 d . . . . .
F1 F 0.8606(2) 0.3272(3) 0.8569(2) 0.0845(19) Uani 1 1 d . . . . .
F2 F 0.8822(2) 0.3064(5) 0.7867(3) 0.126(3) Uani 1 1 d . . . . .
F24A F 0.5725(4) 0.4068(7) 0.7854(5) 0.070(6) Uiso 0.390(18) 1 d D . P D 2
F14A F 0.8612(10) 0.7397(12) 0.8608(10) 0.066(10) Uiso 0.196(17) 1 d D . P A 2
F15A F 0.8947(7) 0.7081(11) 0.7999(7) 0.032(7) Uiso 0.196(17) 1 d D . P A 2
F5A F 0.753(2) 0.2983(11) 0.689(2) 0.04(2) Uiso 0.064(13) 1 d D . P B 2
F4A F 0.7881(18) 0.372(3) 0.652(2) 0.05(2) Uiso 0.064(13) 1 d D . P B 2
F6A F 0.7250(15) 0.388(4) 0.665(4) 0.292 Uiso 0.0645 1 d D . P B 2
F13A F 0.8892(9) 0.6427(13) 0.8574(9) 0.051 Uiso 0.196 1 d D . P A 2
F23A F 0.6031(6) 0.3624(11) 0.8475(6) 0.109 Uiso 0.3897 1 d D . P D 2
F35 F 0.5108(2) 0.8900(3) 0.4513(2) 0.035 Uani 0.6518 1 d . . P F 1
F34 F 0.5460(3) 0.8511(4) 0.5088(3) 0.064 Uani 0.6518 1 d . . P F 1
F36 F 0.48003(19) 0.8393(3) 0.5036(2) 0.040 Uani 0.6518 1 d . . P F 1
F23 F 0.6199(3) 0.3621(6) 0.8498(5) 0.109 Uani 0.6103 1 d D . P D 1
C105 C 0.2983(6) 0.8444(10) 0.8137(7) 0.072 Uani 0.5748 1 d . . P C 1
H10R H 0.280427 0.864274 0.789396 0.109 Uiso 0.575(16) 1 calc R U P C 1
H10S H 0.300929 0.796058 0.807941 0.109 Uiso 0.575(16) 1 calc R U P C 1
H10T H 0.325523 0.865387 0.812293 0.109 Uiso 0.575(16) 1 calc R U P C 1
C103 C 0.2808(6) 0.8552(12) 0.8597(10) 0.062(5) Uani 0.575(16) 1 d . U P C 1
H103 H 0.286661 0.810247 0.874114 0.074 Uiso 0.575(16) 1 calc R U P C 1
C04A C 0.3052(9) 0.9099(14) 0.8851(16) 0.055(7) Uiso 0.425(16) 1 d D U P C 2
H04A H 0.303516 0.896155 0.918542 0.082 Uiso 0.425(16) 1 calc R U P C 2
H04B H 0.292964 0.954592 0.881349 0.082 Uiso 0.425(16) 1 calc R U P C 2
H04C H 0.334116 0.911344 0.875164 0.082 Uiso 0.425(16) 1 calc R U P C 2
C48A C 0.3330(7) 1.0532(11) 0.8198(9) 0.053(6) Uiso 0.425(16) 1 d . . P C 2
H48A H 0.320564 1.009099 0.825477 0.079 Uiso 0.425(16) 1 d R U P C 2
H48B H 0.335124 1.061119 0.785407 0.079 Uiso 0.425(16) 1 d R U P C 2
H48C H 0.315694 1.088099 0.834197 0.079 Uiso 0.425(16) 1 d R U P C 2
C146 C 0.3694(10) 1.0672(16) 0.8397(10) 0.056(9) Uani 0.575(16) 1 d . . P C 1
H146 H 0.348943 1.101053 0.850984 0.067 Uiso 0.575(16) 1 calc R U P C 1
C47A C 0.4070(9) 1.0670(16) 0.8025(10) 0.067(8) Uiso 0.425(16) 1 d . . P C 2
H47A H 0.434281 1.073192 0.816618 0.101 Uiso 0.425(16) 1 calc R U P C 2
H47B H 0.399638 1.106745 0.783813 0.101 Uiso 0.425(16) 1 calc R U P C 2
H47C H 0.407229 1.027420 0.781747 0.101 Uiso 0.425(16) 1 calc R U P C 2
C43A C 0.4964(8) 0.6202(13) 0.3976(10) 0.080(8) Uiso 0.425(16) 1 d D . P C 2
H43D H 0.477417 0.585890 0.409654 0.120 Uiso 0.425(16) 1 calc R U P C 2
H43E H 0.518607 0.598490 0.379698 0.120 Uiso 0.425(16) 1 calc R U P C 2
H43F H 0.481413 0.650945 0.376500 0.120 Uiso 0.425(16) 1 calc R U P C 2
C42A C 0.5340(8) 0.7259(10) 0.4220(9) 0.055(6) Uiso 0.425(16) 1 d D . P C 2
H42D H 0.512220 0.757990 0.414102 0.082 Uiso 0.425(16) 1 calc R U P C 2
H42E H 0.550706 0.717068 0.393557 0.082 Uiso 0.425(16) 1 calc R U P C 2
H42F H 0.551539 0.744690 0.447123 0.082 Uiso 0.425(16) 1 calc R U P C 2
C41A C 0.5146(17) 0.6597(18) 0.4396(10) 0.032(10) Uiso 0.425(16) 1 d D . P C 2
H41A H 0.537603 0.631854 0.452646 0.038 Uiso 0.425(16) 1 calc R U P C 2
C21 C 0.4963(4) 0.4112(10) 0.4123(4) 0.070(4) Uani 0.91(3) 1 d . . P E 1
H21 H 0.484129 0.454560 0.410703 0.084 Uiso 0.91(3) 1 calc R U P E 1
C25 C 0.5145(6) 0.3145(6) 0.4559(6) 0.088(6) Uani 0.91(3) 1 d . . P E 1
H25 H 0.516541 0.289875 0.484779 0.105 Uiso 0.91(3) 1 calc R U P E 1
C22 C 0.5128(4) 0.3830(10) 0.3711(4) 0.079(4) Uani 0.91(3) 1 d . . P E 1
H22 H 0.512395 0.407956 0.342181 0.095 Uiso 0.91(3) 1 calc R U P E 1
C7 C 0.3643(3) 0.4530(6) 0.5907(3) 0.073(3) Uani 1 1 d . . . . .
H7 H 0.390417 0.447599 0.572241 0.088 Uiso 1 1 calc R U . . .
C8 C 0.3381(3) 0.3920(9) 0.5815(4) 0.119(6) Uani 1 1 d . . . . .
H8A H 0.351469 0.352271 0.595082 0.179 Uiso 1 1 calc R U . . .
H8B H 0.334733 0.385897 0.547032 0.179 Uiso 1 1 calc R U . . .
H8C H 0.311062 0.398154 0.596297 0.179 Uiso 1 1 calc R U . . .
C9 C 0.3439(4) 0.5168(9) 0.5743(4) 0.109(6) Uani 1 1 d . . . . .
H9A H 0.319865 0.526036 0.594311 0.164 Uiso 1 1 calc R U . . .
H9B H 0.335135 0.511769 0.541025 0.164 Uiso 1 1 calc R U . . .
H9C H 0.363433 0.554125 0.576736 0.164 Uiso 1 1 calc R U . . .
C24A C 0.548(3) 0.271(4) 0.438(3) 0.06(3) Uiso 0.09(3) 1 d D . P E 2
H24A H 0.561641 0.230065 0.444456 0.068 Uiso 0.09(3) 1 calc R U P E 2
C25A C 0.530(3) 0.307(4) 0.476(2) 0.05(3) Uiso 0.09(3) 1 d D . P E 2
H25A H 0.531659 0.291474 0.507363 0.063 Uiso 0.09(3) 1 calc R U P E 2
C23A C 0.546(3) 0.296(4) 0.391(3) 0.06(3) Uiso 0.09(3) 1 d D . P E 2
H23A H 0.561134 0.273858 0.366530 0.067 Uiso 0.09(3) 1 calc R U P E 2
C22A C 0.522(2) 0.352(4) 0.380(2) 0.02(2) Uiso 0.09(3) 1 d D . P E 2
H22A H 0.520442 0.369036 0.348805 0.021 Uiso 0.09(3) 1 calc R U P E 2
C20A C 0.509(3) 0.368(4) 0.465(2) 0.026(15) Uiso 0.09(3) 1 d D U P E 2
C21A C 0.500(2) 0.384(3) 0.418(2) 0.02(2) Uiso 0.09(3) 1 d D . P E 2
H21A H 0.479242 0.415833 0.410396 0.019 Uiso 0.09(3) 1 calc R U P E 2
F35A F 0.5362(4) 0.8944(6) 0.4582(5) 0.049(4) Uiso 0.348(12) 1 d . . P F 2
F36A F 0.4810(6) 0.8613(10) 0.4736(8) 0.089(6) Uiso 0.348(12) 1 d . . P F 2
F34A F 0.5316(4) 0.8363(7) 0.5231(5) 0.047(4) Uiso 0.348(12) 1 d . . P F 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
Ge Ge 0.1547 1.8001 '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
N1 Ge1 Co1 109.40(18) . . ?
C122 Co2 P2 167.8(2) . . ?
C122 Co2 Ge2 99.47(19) . . ?
P2 Co2 Ge2 88.77(6) . . ?
N4 Ge2 Co2 110.67(19) . . ?
C32 Co1 P1 167.5(2) . . ?
C32 Co1 Ge1 100.54(19) . . ?
P1 Co1 Ge1 89.39(6) . . ?
C26 P1 C20 98.5(5) . . ?
C26 P1 C19 104.8(4) . . ?
C20 P1 C19 107.5(5) . . ?
C26 P1 C20A 114(3) . . ?
C19 P1 C20A 100(2) . . ?
C26 P1 Co1 113.8(3) . . ?
C20 P1 Co1 114.2(3) . . ?
C19 P1 Co1 116.1(3) . . ?
C20A P1 Co1 108(3) . . ?
C110 P2 C109 106.4(4) . . ?
C110 P2 C116 102.0(4) . . ?
C109 P2 C116 103.9(4) . . ?
C110 P2 Co2 112.2(2) . . ?
C109 P2 Co2 116.7(3) . . ?
C116 P2 Co2 114.2(3) . . ?
N4 Si2 C103 113.0(8) . . ?
N4 Si2 C106 111.9(4) . . ?
C103 Si2 C106 111.5(9) . . ?
N4 Si2 C109 106.8(3) . . ?
C103 Si2 C109 106.4(9) . . ?
C106 Si2 C109 106.8(4) . . ?
N4 Si2 C03A 109.2(8) . . ?
C106 Si2 C03A 110.8(10) . . ?
C109 Si2 C03A 111.4(12) . . ?
N1 Si1 C13 113.2(3) . . ?
N1 Si1 C19 106.5(3) . . ?
C13 Si1 C19 109.1(4) . . ?
N1 Si1 C16 109.6(3) . . ?
C13 Si1 C16 111.3(4) . . ?
C19 Si1 C16 106.7(4) . . ?
C87 C88 C83 122.5(6) . . ?
C87 C88 H88 118.7 . . ?
C83 C88 H88 118.7 . . ?
N5 C122 N6 102.6(5) . . ?
N5 C122 Co2 127.6(5) . . ?
N6 C122 Co2 129.5(5) . . ?
C70 C71 C72 121.7(6) . . ?
C70 C71 C74 120.4(6) . . ?
C72 C71 C74 118.0(6) . . ?
C32 N2 C33 111.4(6) . . ?
C32 N2 C35 124.1(6) . . ?
C33 N2 C35 124.1(6) . . ?
C68 C67 C72 116.2(6) . . ?
C68 C67 B1 123.4(6) . . ?
C72 C67 B1 120.3(6) . . ?
C85 C84 C83 123.8(7) . . ?
C85 C84 H84 118.1 . . ?
C83 C84 H84 118.1 . . ?
C71 C72 C67 121.5(6) . . ?
C71 C72 H72 119.3 . . ?
C67 C72 H72 119.3 . . ?
C84 C83 C88 114.2(6) . . ?
C84 C83 B1 121.2(6) . . ?
C88 C83 B1 124.3(6) . . ?
C75 C80 C79 121.3(6) . . ?
C75 C80 H80 119.4 . . ?
C79 C80 H80 119.4 . . ?
C178 C173 C174 115.9(7) . . ?
C178 C173 B2 120.2(7) . . ?
C174 C173 B2 123.3(7) . . ?
C59 B1 C83 113.0(5) . . ?
C59 B1 C75 104.8(5) . . ?
C83 B1 C75 111.6(5) . . ?
C59 B1 C67 111.6(5) . . ?
C83 B1 C67 104.1(5) . . ?
C75 B1 C67 112.0(5) . . ?
C160 C161 C162 120.3(7) . . ?
C160 C161 C164 120.3(7) . . ?
C162 C161 C164 119.5(6) . . ?
P2 C109 Si2 117.1(4) . . ?
P2 C109 H10A 108.0 . . ?
Si2 C109 H10A 108.0 . . ?
P2 C109 H10B 108.0 . . ?
Si2 C109 H10B 108.0 . . ?
H10A C109 H10B 107.3 . . ?
C122 N6 C124 112.0(6) . . ?
C122 N6 C137 125.2(6) . . ?
C124 N6 C137 122.8(6) . . ?
C162 C157 C158 114.7(7) . . ?
C162 C157 B2 125.2(6) . . ?
C158 C157 B2 119.7(6) . . ?
C138 C137 C142 123.8(7) . . ?
C138 C137 N6 118.9(7) . . ?
C142 C137 N6 117.2(7) . . ?
C160 C159 C158 120.4(6) . . ?
C160 C159 C163 121.2(7) . . ?
C158 C159 C163 118.3(6) . . ?
C32 N3 C34 111.3(6) . . ?
C32 N3 C47 125.9(5) . . ?
C34 N3 C47 122.8(6) . . ?
C91 N4 Si2 123.3(5) . . ?
C91 N4 Ge2 110.9(4) . . ?
Si2 N4 Ge2 124.5(3) . . ?
C1 N1 Si1 125.1(5) . . ?
C1 N1 Ge1 113.0(4) . . ?
Si1 N1 Ge1 121.1(3) . . ?
C122 N5 C123 112.0(6) . . ?
C122 N5 C125 122.8(5) . . ?
C123 N5 C125 123.5(6) . . ?
C153 C154 C149 123.1(7) . . ?
C153 C154 H154 118.4 . . ?
C149 C154 H154 118.4 . . ?
C61 C60 C59 122.4(7) . . ?
C61 C60 H60 118.8 . . ?
C59 C60 H60 118.8 . . ?
C64 C59 C60 115.4(6) . . ?
C64 C59 B1 122.2(6) . . ?
C60 C59 B1 122.0(6) . . ?
C70 C69 C68 120.8(6) . . ?
C70 C69 C73 120.4(7) . . ?
C68 C69 C73 118.8(6) . . ?
P1 C19 Si1 113.4(4) . . ?
P1 C19 H19A 108.9 . . ?
Si1 C19 H19A 108.9 . . ?
P1 C19 H19B 108.9 . . ?
Si1 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
C6 C1 C2 119.3(6) . . ?
C6 C1 N1 120.6(6) . . ?
C2 C1 N1 120.1(6) . . ?
N3 C32 N2 103.8(6) . . ?
N3 C32 Co1 129.6(5) . . ?
N2 C32 Co1 125.9(5) . . ?
C6 C10 C11 110.3(8) . . ?
C6 C10 C12 112.5(7) . . ?
C11 C10 C12 111.0(9) . . ?
C6 C10 H10 107.6 . . ?
C11 C10 H10 107.6 . . ?
C12 C10 H10 107.6 . . ?
C71 C70 C69 118.0(7) . . ?
C71 C70 H70 121.0 . . ?
C69 C70 H70 121.0 . . ?
C177 C178 C173 122.5(8) . . ?
C177 C178 H178 118.8 . . ?
C173 C178 H178 118.8 . . ?
C75 C76 C77 123.0(7) . . ?
C75 C76 H76 118.5 . . ?
C77 C76 H76 118.5 . . ?
F19 C90 F20 106.9(7) . . ?
F19 C90 F21 105.8(7) . . ?
F20 C90 F21 104.2(7) . . ?
F19 C90 C87 114.1(7) . . ?
F20 C90 C87 113.0(7) . . ?
F21 C90 C87 112.1(7) . . ?
F35 C164 F34 106.6(8) . . ?
F35 C164 F36 100.6(7) . . ?
F34 C164 F36 107.8(8) . . ?
F36A C164 F34A 115.6(13) . . ?
F36A C164 F35A 94.5(12) . . ?
F34A C164 F35A 104.1(10) . . ?
F36A C164 C161 116.8(11) . . ?
F35 C164 C161 114.8(7) . . ?
F34 C164 C161 114.0(7) . . ?
F36 C164 C161 112.1(7) . . ?
F34A C164 C161 112.6(8) . . ?
F35A C164 C161 110.7(8) . . ?
C161 C160 C159 118.7(8) . . ?
C161 C160 H160 120.6 . . ?
C159 C160 H160 120.6 . . ?
C157 C162 C161 123.0(6) . . ?
C157 C162 H162 118.5 . . ?
C161 C162 H162 118.5 . . ?
C151 C150 C149 123.5(7) . . ?
C151 C150 H150 118.2 . . ?
C149 C150 H150 118.2 . . ?
C62 C61 C60 121.2(7) . . ?
C62 C61 C65 119.2(7) . . ?
C60 C61 C65 119.6(7) . . ?
C47 C52 C51 114.9(7) . . ?
C47 C52 C56 123.4(7) . . ?
C51 C52 C56 121.7(7) . . ?
F10 C73 F12 106.8(6) . . ?
F10 C73 F11 106.2(7) . . ?
F12 C73 F11 104.6(6) . . ?
F10 C73 C69 114.6(6) . . ?
F12 C73 C69 112.4(6) . . ?
F11 C73 C69 111.6(6) . . ?
C76 C75 C80 115.8(6) . . ?
C76 C75 B1 122.4(6) . . ?
C80 C75 B1 121.3(6) . . ?
C150 C149 C154 114.0(7) . . ?
C150 C149 B2 120.8(6) . . ?
C154 C149 B2 125.0(7) . . ?
C36 C35 C40 123.5(7) . . ?
C36 C35 N2 117.4(7) . . ?
C40 C35 N2 119.1(7) . . ?
C52 C47 C48 124.2(7) . . ?
C52 C47 N3 118.2(6) . . ?
C48 C47 N3 117.4(7) . . ?
C30 C31 C26 121.6(9) . . ?
C30 C31 H31 119.2 . . ?
C26 C31 H31 119.2 . . ?
C93 C92 C91 118.7(7) . . ?
C93 C92 C97 118.3(8) . . ?
C91 C92 C97 122.9(7) . . ?
C61 C62 C63 117.9(7) . . ?
C61 C62 H62 121.0 . . ?
C63 C62 H62 121.0 . . ?
C170 C165 C166 116.4(7) . . ?
C170 C165 B2 120.4(7) . . ?
C166 C165 B2 122.8(7) . . ?
C92 C91 C96 120.5(7) . . ?
C92 C91 N4 120.4(6) . . ?
C96 C91 N4 119.0(7) . . ?
C166 C167 C168 121.4(7) . . ?
C166 C167 C171 119.9(7) . . ?
C168 C167 C171 118.6(7) . . ?
C165 C170 C169 122.5(7) . . ?
C165 C170 H170 118.7 . . ?
C169 C170 H170 118.7 . . ?
C129 C130 C125 115.8(7) . . ?
C129 C130 C134 120.6(7) . . ?
C125 C130 C134 123.5(7) . . ?
C39 C40 C35 116.5(8) . . ?
C39 C40 C44 120.7(8) . . ?
C35 C40 C44 122.7(8) . . ?
F42 C172 F40 107.4(7) . . ?
F42 C172 F41 104.0(7) . . ?
F40 C172 F41 104.8(7) . . ?
F42 C172 C169 113.2(7) . . ?
F40 C172 C169 113.6(7) . . ?
F41 C172 C169 113.0(7) . . ?
C5 C6 C1 119.7(7) . . ?
C5 C6 C10 119.7(7) . . ?
C1 C6 C10 120.5(7) . . ?
C49 C50 C51 119.8(7) . . ?
C49 C50 H50 120.1 . . ?
C51 C50 H50 120.1 . . ?
C27 C26 C31 118.4(8) . . ?
C27 C26 P1 121.4(7) . . ?
C31 C26 P1 120.0(6) . . ?
C125 C126 C127 116.5(7) . . ?
C125 C126 C131 123.1(7) . . ?
C127 C126 C131 120.4(7) . . ?
C154 C153 C152 122.1(7) . . ?
C154 C153 C156 120.5(8) . . ?
C152 C153 C156 117.4(7) . . ?
F27 C155 F26 107.5(7) . . ?
F27 C155 F25 103.8(7) . . ?
F26 C155 F25 105.6(7) . . ?
F27 C155 C151 113.0(7) . . ?
F26 C155 C151 113.6(7) . . ?
F25 C155 C151 112.6(7) . . ?
C28 C29 C30 120.8(10) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
F24 C89 F22 114.8(10) . . ?
F23A C89 F24A 111.9(12) . . ?
F24 C89 F23 104.8(11) . . ?
F22 C89 F23 93.7(10) . . ?
F23A C89 F22A 103.4(12) . . ?
F24A C89 F22A 94.0(10) . . ?
F24 C89 C85 116.9(10) . . ?
F23A C89 C85 123.7(13) . . ?
F22 C89 C85 114.6(8) . . ?
F24A C89 C85 112.9(9) . . ?
F23 C89 C85 108.5(8) . . ?
F22A C89 C85 105.7(10) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C144 C143 C145 111.7(9) . . ?
C144 C143 C138 112.6(8) . . ?
C145 C143 C138 112.0(9) . . ?
C144 C143 H143 106.7 . . ?
C145 C143 H143 106.7 . . ?
C138 C143 H143 106.7 . . ?
C92 C93 C94 121.3(8) . . ?
C92 C93 H93 119.3 . . ?
C94 C93 H93 119.3 . . ?
C139 C138 C137 117.8(8) . . ?
C139 C138 C143 120.5(8) . . ?
C137 C138 C143 121.6(7) . . ?
C34 C33 N2 106.7(6) . . ?
C34 C33 H33 126.6 . . ?
N2 C33 H33 126.6 . . ?
C135 C134 C136 110.2(7) . . ?
C135 C134 C130 109.7(7) . . ?
C136 C134 C130 113.3(7) . . ?
C135 C134 H134 107.8 . . ?
C136 C134 H134 107.8 . . ?
C130 C134 H134 107.8 . . ?
C50 C49 C48 121.0(8) . . ?
C50 C49 H49 119.5 . . ?
C48 C49 H49 119.5 . . ?
C159 C158 C157 122.8(7) . . ?
C159 C158 H158 118.6 . . ?
C157 C158 H158 118.6 . . ?
C63 C64 C59 122.6(7) . . ?
C63 C64 H64 118.7 . . ?
C59 C64 H64 118.7 . . ?
C18 C16 C17 110.4(8) . . ?
C18 C16 Si1 114.4(7) . . ?
C17 C16 Si1 112.4(7) . . ?
C18 C16 H16 106.3 . . ?
C17 C16 H16 106.3 . . ?
Si1 C16 H16 106.3 . . ?
F9 C74 F8 107.2(7) . . ?
F9 C74 F7 107.1(6) . . ?
F8 C74 F7 103.9(7) . . ?
F9 C74 C71 113.7(7) . . ?
F8 C74 C71 112.0(6) . . ?
F7 C74 C71 112.2(7) . . ?
C86 C87 C88 120.6(7) . . ?
C86 C87 C90 120.0(6) . . ?
C88 C87 C90 119.4(7) . . ?
C33 C34 N3 106.9(7) . . ?
C33 C34 H34 126.6 . . ?
N3 C34 H34 126.6 . . ?
F14A C81 F13A 108.7(16) . . ?
F14A C81 F15A 107.0(15) . . ?
F13A C81 F15A 103.6(15) . . ?
F15 C81 F14 103.4(10) . . ?
F15 C81 F13 110.4(11) . . ?
F14 C81 F13 99.9(8) . . ?
F15 C81 C79 116.3(8) . . ?
F14A C81 C79 111.2(16) . . ?
F13A C81 C79 117.7(16) . . ?
F15A C81 C79 108.0(13) . . ?
F14 C81 C79 113.3(7) . . ?
F13 C81 C79 112.2(7) . . ?
C95 C94 C93 119.9(8) . . ?
C95 C94 H94 120.1 . . ?
C93 C94 H94 120.1 . . ?
C52 C56 C58 113.6(8) . . ?
C52 C56 C57 111.6(7) . . ?
C58 C56 C57 109.4(8) . . ?
C52 C56 H56 107.3 . . ?
C58 C56 H56 107.3 . . ?
C57 C56 H56 107.3 . . ?
C124 C123 N5 106.8(6) . . ?
C124 C123 H123 126.6 . . ?
N5 C123 H123 126.6 . . ?
C167 C166 C165 122.4(7) . . ?
C167 C166 H166 118.8 . . ?
C165 C166 H166 118.8 . . ?
C94 C95 C96 121.6(8) . . ?
C94 C95 H95 119.2 . . ?
C96 C95 H95 119.2 . . ?
C140 C141 C142 120.7(9) . . ?
C140 C141 H141 119.7 . . ?
C142 C141 H141 119.7 . . ?
C149 B2 C157 111.6(6) . . ?
C149 B2 C173 103.5(6) . . ?
C157 B2 C173 114.4(6) . . ?
C149 B2 C165 113.6(6) . . ?
C157 B2 C165 103.3(6) . . ?
C173 B2 C165 110.8(6) . . ?
C50 C51 C52 122.8(8) . . ?
C50 C51 H51 118.6 . . ?
C52 C51 H51 118.6 . . ?
C67 C68 C69 121.9(6) . . ?
C67 C68 H68 119.1 . . ?
C69 C68 H68 119.1 . . ?
C126 C125 C130 124.0(7) . . ?
C126 C125 N5 118.0(6) . . ?
C130 C125 N5 117.9(6) . . ?
C167 C168 C169 117.9(7) . . ?
C167 C168 H168 121.0 . . ?
C169 C168 H168 121.0 . . ?
C95 C96 C91 117.9(7) . . ?
C95 C96 C100 118.6(7) . . ?
C91 C96 C100 123.4(7) . . ?
C85 C86 C87 118.9(7) . . ?
C85 C86 H86 120.6 . . ?
C87 C86 H86 120.6 . . ?
C133 C131 C126 111.6(7) . . ?
C133 C131 C132 113.8(9) . . ?
C126 C131 C132 108.7(7) . . ?
C133 C131 H131 107.5 . . ?
C126 C131 H131 107.5 . . ?
C132 C131 H131 107.5 . . ?
C4 C5 C6 120.9(7) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C117 C116 C121 119.3(8) . . ?
C117 C116 P2 121.9(7) . . ?
C121 C116 P2 118.8(7) . . ?
C35 C36 C37 117.2(7) . . ?
C35 C36 C41A 125.4(17) . . ?
C37 C36 C41A 117.1(18) . . ?
C35 C36 C41 119.5(15) . . ?
C37 C36 C41 123.2(16) . . ?
C78 C79 C80 121.5(7) . . ?
C78 C79 C81 120.7(7) . . ?
C80 C79 C81 117.8(7) . . ?
C114 C113 C112 119.9(9) . . ?
C114 C113 H113 120.0 . . ?
C112 C113 H113 120.0 . . ?
C115 C110 C111 119.3(8) . . ?
C115 C110 P2 119.8(6) . . ?
C111 C110 P2 120.6(6) . . ?
C40 C39 C38 120.9(8) . . ?
C40 C39 H39 119.6 . . ?
C38 C39 H39 119.6 . . ?
C36 C41 C43 112(2) . . ?
C36 C41 C42 108(3) . . ?
C43 C41 C42 110(2) . . ?
C36 C41 H41 109.2 . . ?
C43 C41 H41 109.2 . . ?
C42 C41 H41 109.2 . . ?
C123 C124 N6 106.5(6) . . ?
C123 C124 H124 126.7 . . ?
N6 C124 H124 126.7 . . ?
C168 C169 C170 119.4(7) . . ?
C168 C169 C172 120.9(7) . . ?
C170 C169 C172 119.7(7) . . ?
C175 C174 C173 121.9(7) . . ?
C175 C174 H174 119.1 . . ?
C173 C174 H174 119.1 . . ?
C140 C139 C138 120.3(9) . . ?
C140 C139 H139 119.9 . . ?
C138 C139 H139 119.9 . . ?
C64 C63 C62 120.3(7) . . ?
C64 C63 C66 119.9(7) . . ?
C62 C63 C66 119.8(7) . . ?
C151 C152 C153 117.3(7) . . ?
C151 C152 H152 121.3 . . ?
C153 C152 H152 121.3 . . ?
C78 C77 C76 119.0(7) . . ?
C78 C77 C82 120.1(7) . . ?
C76 C77 C82 120.9(7) . . ?
C46A C142 C141 117(2) . . ?
C46A C142 C137 127(2) . . ?
C141 C142 C137 116.0(8) . . ?
C141 C142 C146 122.5(13) . . ?
C137 C142 C146 121.4(12) . . ?
C4 C3 C2 122.5(8) . . ?
C4 C3 H3 118.8 . . ?
C2 C3 H3 118.8 . . ?
C40 C44 C45 114.3(9) . . ?
C40 C44 C46 110.7(7) . . ?
C45 C44 C46 108.2(8) . . ?
C40 C44 H44 107.8 . . ?
C45 C44 H44 107.8 . . ?
C46 C44 H44 107.8 . . ?
F2 C65 F1 108.2(8) . . ?
F2 C65 F3 108.4(8) . . ?
F1 C65 F3 100.7(8) . . ?
F2 C65 C61 114.6(8) . . ?
F1 C65 C61 113.0(7) . . ?
F3 C65 C61 111.0(7) . . ?
F16 C82 F18 103.0(9) . . ?
F16 C82 F17 110.3(10) . . ?
F18 C82 F17 102.1(9) . . ?
F16 C82 C77 115.9(8) . . ?
F18 C82 C77 112.4(8) . . ?
F17 C82 C77 112.0(8) . . ?
C86 C85 C84 120.0(7) . . ?
C86 C85 C89 119.7(7) . . ?
C84 C85 C89 120.2(7) . . ?
C142 C46A C48A 122(4) . . ?
C142 C46A C47A 121(3) . . ?
C48A C46A C47A 106(4) . . ?
C142 C46A H46A 101.0 . . ?
C48A C46A H46A 101.0 . . ?
C47A C46A H46A 101.0 . . ?
C3 C2 C1 117.6(7) . . ?
C3 C2 C7 118.9(7) . . ?
C1 C2 C7 123.5(7) . . ?
C178 C177 C176 120.7(8) . . ?
C178 C177 C180 120.6(8) . . ?
C176 C177 C180 118.8(8) . . ?
C31 C30 C29 117.9(11) . . ?
C31 C30 H30 121.0 . . ?
C29 C30 H30 121.0 . . ?
C55 C53 C54 112.5(11) . . ?
C55 C53 C48 114.4(8) . . ?
C54 C53 C48 110.9(8) . . ?
C55 C53 H53 106.2 . . ?
C54 C53 H53 106.2 . . ?
C48 C53 H53 106.2 . . ?
C96 C100 C102 112.8(8) . . ?
C96 C100 C101 113.7(8) . . ?
C102 C100 C101 108.6(8) . . ?
C96 C100 H100 107.1 . . ?
C102 C100 H100 107.1 . . ?
C101 C100 H100 107.1 . . ?
C47 C48 C49 117.2(8) . . ?
C47 C48 C53 122.8(7) . . ?
C49 C48 C53 120.0(7) . . ?
C112 C111 C110 120.3(8) . . ?
C112 C111 H111 119.8 . . ?
C110 C111 H111 119.8 . . ?
C175 C176 C177 117.7(7) . . ?
C175 C176 H176 121.1 . . ?
C177 C176 H176 121.1 . . ?
C152 C151 C150 119.9(7) . . ?
C152 C151 C155 120.7(7) . . ?
C150 C151 C155 119.4(7) . . ?
C110 C115 C114 120.1(8) . . ?
C110 C115 H115 119.9 . . ?
C114 C115 H115 119.9 . . ?
C113 C114 C115 120.4(8) . . ?
C113 C114 H114 119.8 . . ?
C115 C114 H114 119.8 . . ?
C28 C27 C26 120.7(11) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
F28 C156 F29 106.5(8) . . ?
F28 C156 F30 104.5(7) . . ?
F29 C156 F30 105.6(7) . . ?
F28 C156 C153 112.9(7) . . ?
F29 C156 C153 114.0(8) . . ?
F30 C156 C153 112.6(8) . . ?
F32 C163 F31 108.6(8) . . ?
F32 C163 F33 104.5(7) . . ?
F31 C163 F33 104.5(8) . . ?
F32 C163 C159 113.9(7) . . ?
F31 C163 C159 114.2(7) . . ?
F33 C163 C159 110.3(7) . . ?
C79 C78 C77 119.4(7) . . ?
C79 C78 H78 120.3 . . ?
C77 C78 H78 120.3 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
F4A C66 F6A 105(2) . . ?
F4A C66 F5A 106(2) . . ?
F6A C66 F5A 105(2) . . ?
F4 C66 F6 107.8(12) . . ?
F4 C66 F5 109.4(11) . . ?
F6 C66 F5 99.6(8) . . ?
F4 C66 C63 115.0(9) . . ?
F4A C66 C63 109(3) . . ?
F6A C66 C63 124(5) . . ?
F5A C66 C63 106(3) . . ?
F6 C66 C63 112.5(8) . . ?
F5 C66 C63 111.5(8) . . ?
C38 C37 C36 120.5(8) . . ?
C38 C37 H37 119.7 . . ?
C36 C37 H37 119.7 . . ?
C3 C4 C5 120.0(7) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C56 C58 H58A 109.5 . . ?
C56 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C56 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C139 C140 C141 121.5(8) . . ?
C139 C140 H140 119.3 . . ?
C141 C140 H140 119.3 . . ?
C107 C106 C108 106.6(10) . . ?
C107 C106 Si2 112.7(8) . . ?
C108 C106 Si2 114.8(9) . . ?
C107 C106 H106 107.5 . . ?
C108 C106 H106 107.5 . . ?
Si2 C106 H106 107.5 . . ?
C127 C128 C129 121.1(7) . . ?
C127 C128 H128 119.5 . . ?
C129 C128 H128 119.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C134 C135 H13A 109.5 . . ?
C134 C135 H13B 109.5 . . ?
H13A C135 H13B 109.5 . . ?
C134 C135 H13C 109.5 . . ?
H13A C135 H13C 109.5 . . ?
H13B C135 H13C 109.5 . . ?
C100 C102 H10C 109.5 . . ?
C100 C102 H10D 109.5 . . ?
H10C C102 H10D 109.5 . . ?
C100 C102 H10E 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
C134 C136 H13D 109.5 . . ?
C134 C136 H13E 109.5 . . ?
H13D C136 H13E 109.5 . . ?
C134 C136 H13F 109.5 . . ?
H13D C136 H13F 109.5 . . ?
H13E C136 H13F 109.5 . . ?
C128 C129 C130 121.0(8) . . ?
C128 C129 H129 119.5 . . ?
C130 C129 H129 119.5 . . ?
C111 C112 C113 119.9(8) . . ?
C111 C112 H112 120.1 . . ?
C113 C112 H112 120.1 . . ?
C99 C97 C92 113.5(9) . . ?
C99 C97 C98 113.1(10) . . ?
C92 C97 C98 109.8(8) . . ?
C99 C97 H97 106.7 . . ?
C92 C97 H97 106.7 . . ?
C98 C97 H97 106.7 . . ?
C131 C133 H13G 109.5 . . ?
C131 C133 H13H 109.5 . . ?
H13G C133 H13H 109.5 . . ?
C131 C133 H13I 109.5 . . ?
H13G C133 H13I 109.5 . . ?
H13H C133 H13I 109.5 . . ?
C116 C117 C118 118.1(10) . . ?
C116 C117 H117 120.9 . . ?
C118 C117 H117 120.9 . . ?
C128 C127 C126 121.6(8) . . ?
C128 C127 H127 119.2 . . ?
C126 C127 H127 119.2 . . ?
C131 C132 H13J 109.5 . . ?
C131 C132 H13K 109.5 . . ?
H13J C132 H13K 109.5 . . ?
C131 C132 H13L 109.5 . . ?
H13J C132 H13L 109.5 . . ?
H13K C132 H13L 109.5 . . ?
C29 C28 C27 120.4(10) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C37 C38 C39 121.1(9) . . ?
C37 C38 H38 119.4 . . ?
C39 C38 H38 119.4 . . ?
C120 C119 C118 119.2(9) . . ?
C120 C119 H119 120.4 . . ?
C118 C119 H119 120.4 . . ?
C119 C120 C121 121.5(11) . . ?
C119 C120 H120 119.3 . . ?
C121 C120 H120 119.3 . . ?
C120 C121 C116 119.2(10) . . ?
C120 C121 H121 120.4 . . ?
C116 C121 H121 120.4 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C119 C118 C117 122.7(10) . . ?
C119 C118 H118 118.7 . . ?
C117 C118 H118 118.7 . . ?
C25 C20 C21 116.8(10) . . ?
C25 C20 P1 124.0(9) . . ?
C21 C20 P1 119.2(9) . . ?
C100 C101 H10F 109.5 . . ?
C100 C101 H10G 109.5 . . ?
H10F C101 H10G 109.5 . . ?
C100 C101 H10H 109.5 . . ?
H10F C101 H10H 109.5 . . ?
H10G C101 H10H 109.5 . . ?
C174 C175 C176 121.3(7) . . ?
C174 C175 C179 119.5(8) . . ?
C176 C175 C179 119.2(8) . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C97 C99 H99A 109.5 . . ?
C97 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C97 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C14 C13 C15 108.2(8) . . ?
C14 C13 Si1 118.1(7) . . ?
C15 C13 Si1 109.0(6) . . ?
C14 C13 H13 107.0 . . ?
C15 C13 H13 107.0 . . ?
Si1 C13 H13 107.0 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
F45 C179 F44 110.4(10) . . ?
F45 C179 F43 103.5(10) . . ?
F44 C179 F43 99.8(9) . . ?
F45 C179 C175 115.9(9) . . ?
F44 C179 C175 112.7(9) . . ?
F43 C179 C175 113.0(8) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C143 C144 H14D 109.5 . . ?
C143 C144 H14E 109.5 . . ?
H14D C144 H14E 109.5 . . ?
C143 C144 H14F 109.5 . . ?
H14D C144 H14F 109.5 . . ?
H14E C144 H14F 109.5 . . ?
F39 C171 F37 107.4(10) . . ?
F39 C171 F38 107.0(11) . . ?
F37 C171 F38 97.5(8) . . ?
F39 C171 C167 115.8(9) . . ?
F37 C171 C167 113.0(10) . . ?
F38 C171 C167 114.4(9) . . ?
C143 C145 H14G 109.5 . . ?
C143 C145 H14H 109.5 . . ?
H14G C145 H14H 109.5 . . ?
C143 C145 H14I 109.5 . . ?
H14G C145 H14I 109.5 . . ?
H14H C145 H14I 109.5 . . ?
C04A C03A C05A 111.4(19) . . ?
C04A C03A Si2 112.5(18) . . ?
C05A C03A Si2 112.8(14) . . ?
C04A C03A H03A 106.5 . . ?
C05A C03A H03A 106.5 . . ?
Si2 C03A H03A 106.5 . . ?
C103 C104 H10I 109.5 . . ?
C103 C104 H10J 109.5 . . ?
H10I C104 H10J 109.5 . . ?
C103 C104 H10K 109.5 . . ?
H10I C104 H10K 109.5 . . ?
H10J C104 H10K 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C146 C147 H14J 109.5 . . ?
C146 C147 H14K 109.5 . . ?
H14J C147 H14K 109.5 . . ?
C146 C147 H14L 109.5 . . ?
H14J C147 H14L 109.5 . . ?
H14K C147 H14L 109.5 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C46 H46D 109.5 . . ?
H46B C46 H46D 109.5 . . ?
H46C C46 H46D 109.5 . . ?
C106 C107 H10L 109.5 . . ?
C106 C107 H10M 109.5 . . ?
H10L C107 H10M 109.5 . . ?
C106 C107 H10N 109.5 . . ?
H10L C107 H10N 109.5 . . ?
H10M C107 H10N 109.5 . . ?
C146 C148 H14M 109.5 . . ?
C146 C148 H14N 109.5 . . ?
H14M C148 H14N 109.5 . . ?
C146 C148 H14O 109.5 . . ?
H14M C148 H14O 109.5 . . ?
H14N C148 H14O 109.5 . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
F47 C180 F46 107.7(10) . . ?
F47 C180 F48 110.6(13) . . ?
F46 C180 F48 90.9(9) . . ?
F47 C180 C177 118.1(10) . . ?
F46 C180 C177 113.5(11) . . ?
F48 C180 C177 112.6(9) . . ?
C22 C23 C24 119.4(12) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C23 C24 C25 121.6(14) . . ?
C23 C24 H24 119.2 . . ?
C25 C24 H24 119.2 . . ?
C106 C108 H10O 109.5 . . ?
C106 C108 H10P 109.5 . . ?
H10O C108 H10P 109.5 . . ?
C106 C108 H10Q 109.5 . . ?
H10O C108 H10Q 109.5 . . ?
H10P C108 H10Q 109.5 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C03A C05A H05A 109.5 . . ?
C03A C05A H05B 109.5 . . ?
H05A C05A H05B 109.5 . . ?
C03A C05A H05C 109.5 . . ?
H05A C05A H05C 109.5 . . ?
H05B C05A H05C 109.5 . . ?
C103 C105 H10R 109.5 . . ?
C103 C105 H10S 109.5 . . ?
H10R C105 H10S 109.5 . . ?
C103 C105 H10T 109.5 . . ?
H10R C105 H10T 109.5 . . ?
H10S C105 H10T 109.5 . . ?
C105 C103 C104 114(2) . . ?
C105 C103 Si2 121.4(18) . . ?
C104 C103 Si2 117.4(16) . . ?
C105 C103 H103 98.9 . . ?
C104 C103 H103 98.9 . . ?
Si2 C103 H103 98.9 . . ?
C03A C04A H04A 109.5 . . ?
C03A C04A H04B 109.5 . . ?
H04A C04A H04B 109.5 . . ?
C03A C04A H04C 109.5 . . ?
H04A C04A H04C 109.5 . . ?
H04B C04A H04C 109.5 . . ?
C46A C48A H48A 109.5 . . ?
C46A C48A H48B 111.6 . . ?
H48A C48A H48B 109.5 . . ?
C46A C48A H48C 107.3 . . ?
H48A C48A H48C 109.5 . . ?
H48B C48A H48C 109.4 . . ?
C147 C146 C142 111(2) . . ?
C147 C146 C148 106(2) . . ?
C142 C146 C148 107(2) . . ?
C147 C146 H146 110.8 . . ?
C142 C146 H146 110.8 . . ?
C148 C146 H146 110.8 . . ?
C46A C47A H47A 109.5 . . ?
C46A C47A H47B 109.5 . . ?
H47A C47A H47B 109.5 . . ?
C46A C47A H47C 109.5 . . ?
H47A C47A H47C 109.5 . . ?
H47B C47A H47C 109.5 . . ?
C41A C43A H43D 109.5 . . ?
C41A C43A H43E 109.5 . . ?
H43D C43A H43E 109.5 . . ?
C41A C43A H43F 109.5 . . ?
H43D C43A H43F 109.5 . . ?
H43E C43A H43F 109.5 . . ?
C41A C42A H42D 109.5 . . ?
C41A C42A H42E 109.5 . . ?
H42D C42A H42E 109.5 . . ?
C41A C42A H42F 109.5 . . ?
H42D C42A H42F 109.5 . . ?
H42E C42A H42F 109.5 . . ?
C36 C41A C43A 114(3) . . ?
C36 C41A C42A 112(3) . . ?
C43A C41A C42A 110.5(18) . . ?
C36 C41A H41A 106.6 . . ?
C43A C41A H41A 106.6 . . ?
C42A C41A H41A 106.6 . . ?
C20 C21 C22 121.8(13) . . ?
C20 C21 H21 119.1 . . ?
C22 C21 H21 119.1 . . ?
C20 C25 C24 119.3(14) . . ?
C20 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
C23 C22 C21 121.0(12) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C9 C7 C8 112.2(10) . . ?
C9 C7 C2 109.6(9) . . ?
C8 C7 C2 111.6(9) . . ?
C9 C7 H7 107.7 . . ?
C8 C7 H7 107.7 . . ?
C2 C7 H7 107.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C25A C24A C23A 120.4(19) . . ?
C25A C24A H24A 119.8 . . ?
C23A C24A H24A 119.8 . . ?
C24A C25A C20A 119.1(19) . . ?
C24A C25A H25A 120.5 . . ?
C20A C25A H25A 120.5 . . ?
C24A C23A C22A 120.1(19) . . ?
C24A C23A H23A 120.0 . . ?
C22A C23A H23A 120.0 . . ?
C23A C22A C21A 118.9(19) . . ?
C23A C22A H22A 120.5 . . ?
C21A C22A H22A 120.5 . . ?
C25A C20A C21A 119(2) . . ?
C25A C20A P1 127(4) . . ?
C21A C20A P1 111(4) . . ?
C20A C21A C22A 120(2) . . ?
C20A C21A H21A 120.2 . . ?
C22A C21A H21A 120.2 . . ?
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
Ge1 N1 1.856(6) . ?
Ge1 Co1 2.3045(12) . ?
Co2 C122 1.972(7) . ?
Co2 P2 2.225(2) . ?
Co2 Ge2 2.2872(13) . ?
Ge2 N4 1.853(6) . ?
Co1 C32 1.973(7) . ?
Co1 P1 2.235(2) . ?
P1 C26 1.809(8) . ?
P1 C20 1.829(9) . ?
P1 C19 1.841(8) . ?
P1 C20A 1.93(5) . ?
P2 C110 1.838(8) . ?
P2 C109 1.840(8) . ?
P2 C116 1.856(8) . ?
Si2 N4 1.758(6) . ?
Si2 C103 1.840(19) . ?
Si2 C106 1.879(9) . ?
Si2 C109 1.899(9) . ?
Si2 C03A 1.906(15) . ?
Si1 N1 1.754(6) . ?
Si1 C13 1.877(8) . ?
Si1 C19 1.897(8) . ?
Si1 C16 1.926(9) . ?
C88 C87 1.392(9) . ?
C88 C83 1.404(9) . ?
C88 H88 0.9500 . ?
C122 N5 1.368(8) . ?
C122 N6 1.375(8) . ?
F12 C73 1.337(9) . ?
C71 C70 1.382(10) . ?
C71 C72 1.397(10) . ?
C71 C74 1.494(10) . ?
F9 C74 1.330(9) . ?
N2 C32 1.370(9) . ?
N2 C33 1.389(9) . ?
N2 C35 1.450(9) . ?
F31 C163 1.305(10) . ?
C67 C68 1.395(9) . ?
C67 C72 1.410(9) . ?
C67 B1 1.660(10) . ?
F30 C156 1.354(12) . ?
F32 C163 1.304(10) . ?
C84 C85 1.384(10) . ?
C84 C83 1.398(10) . ?
C84 H84 0.9500 . ?
C72 H72 0.9500 . ?
C83 B1 1.641(10) . ?
F8 C74 1.333(10) . ?
C80 C75 1.407(9) . ?
C80 C79 1.413(10) . ?
C80 H80 0.9500 . ?
F10 C73 1.324(9) . ?
F11 C73 1.356(9) . ?
C173 C178 1.400(10) . ?
C173 C174 1.407(10) . ?
C173 B2 1.654(11) . ?
B1 C59 1.630(10) . ?
B1 C75 1.657(10) . ?
C161 C160 1.365(10) . ?
C161 C162 1.412(11) . ?
C161 C164 1.482(11) . ?
C109 H10A 0.9900 . ?
C109 H10B 0.9900 . ?
N6 C124 1.377(9) . ?
N6 C137 1.455(9) . ?
C157 C162 1.383(10) . ?
C157 C158 1.402(10) . ?
C157 B2 1.651(12) . ?
C137 C138 1.398(11) . ?
C137 C142 1.409(11) . ?
C159 C160 1.377(10) . ?
C159 C158 1.396(11) . ?
C159 C163 1.502(10) . ?
F42 C172 1.330(10) . ?
F27 C155 1.340(10) . ?
N3 C32 1.355(8) . ?
N3 C34 1.399(9) . ?
N3 C47 1.468(9) . ?
F40 C172 1.334(9) . ?
N4 C91 1.458(9) . ?
N1 C1 1.442(9) . ?
F7 C74 1.348(10) . ?
N5 C123 1.377(9) . ?
N5 C125 1.471(9) . ?
C154 C153 1.343(11) . ?
C154 C149 1.413(10) . ?
C154 H154 0.9500 . ?
C60 C61 1.382(10) . ?
C60 C59 1.400(10) . ?
C60 H60 0.9500 . ?
C59 C64 1.397(10) . ?
C69 C70 1.383(10) . ?
C69 C68 1.414(10) . ?
C69 C73 1.495(10) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C1 C6 1.401(10) . ?
C1 C2 1.427(10) . ?
C10 C6 1.529(11) . ?
C10 C11 1.534(15) . ?
C10 C12 1.548(14) . ?
C10 H10 1.0000 . ?
C70 H70 0.9500 . ?
C178 C177 1.384(11) . ?
C178 H178 0.9500 . ?
C76 C75 1.389(10) . ?
C76 C77 1.407(10) . ?
C76 H76 0.9500 . ?
F25 C155 1.352(10) . ?
C90 F19 1.305(9) . ?
C90 F20 1.314(10) . ?
C90 F21 1.332(11) . ?
C90 C87 1.508(10) . ?
F41 C172 1.337(12) . ?
F18 C82 1.320(13) . ?
C164 F36A 1.27(2) . ?
C164 F35 1.316(10) . ?
C164 F34 1.333(11) . ?
C164 F36 1.342(11) . ?
C164 F34A 1.342(16) . ?
C164 F35A 1.400(16) . ?
C160 H160 0.9500 . ?
C162 H162 0.9500 . ?
C150 C151 1.391(10) . ?
C150 C149 1.403(10) . ?
C150 H150 0.9500 . ?
C61 C62 1.378(11) . ?
C61 C65 1.499(11) . ?
C52 C47 1.390(10) . ?
C52 C51 1.402(11) . ?
C52 C56 1.512(12) . ?
C149 B2 1.635(12) . ?
C35 C36 1.392(11) . ?
C35 C40 1.417(11) . ?
C47 C48 1.392(11) . ?
C31 C30 1.382(12) . ?
C31 C26 1.416(12) . ?
C31 H31 0.9500 . ?
C92 C93 1.372(12) . ?
C92 C91 1.402(11) . ?
C92 C97 1.530(12) . ?
F13 C81 1.374(12) . ?
C62 C63 1.395(11) . ?
C62 H62 0.9500 . ?
C165 C170 1.381(10) . ?
C165 C166 1.398(11) . ?
C165 B2 1.664(12) . ?
C91 C96 1.415(11) . ?
C167 C166 1.382(11) . ?
C167 C168 1.384(11) . ?
C167 C171 1.483(13) . ?
C170 C169 1.415(11) . ?
C170 H170 0.9500 . ?
F29 C156 1.343(11) . ?
C130 C129 1.410(11) . ?
C130 C125 1.416(10) . ?
C130 C134 1.535(11) . ?
C40 C39 1.392(12) . ?
C40 C44 1.516(12) . ?
C172 C169 1.473(11) . ?
C6 C5 1.398(11) . ?
F26 C155 1.346(9) . ?
C50 C49 1.359(12) . ?
C50 C51 1.379(12) . ?
C50 H50 0.9500 . ?
C26 C27 1.396(11) . ?
C126 C125 1.392(10) . ?
C126 C127 1.404(10) . ?
C126 C131 1.519(11) . ?
C153 C152 1.400(11) . ?
C153 C156 1.503(11) . ?
C155 C151 1.480(11) . ?
C29 C28 1.378(18) . ?
C29 C30 1.425(17) . ?
C29 H29 0.9500 . ?
C89 F24 1.268(11) . ?
C89 F23A 1.281(12) . ?
C89 F22 1.333(10) . ?
C89 F24A 1.364(11) . ?
C89 F23 1.388(11) . ?
C89 F22A 1.423(12) . ?
C89 C85 1.492(12) . ?
C17 C16 1.553(15) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C143 C144 1.483(14) . ?
C143 C145 1.543(14) . ?
C143 C138 1.557(13) . ?
C143 H143 1.0000 . ?
C93 C94 1.391(13) . ?
C93 H93 0.9500 . ?
C138 C139 1.382(12) . ?
C33 C34 1.338(12) . ?
C33 H33 0.9500 . ?
C134 C135 1.522(12) . ?
C134 C136 1.534(12) . ?
C134 H134 1.0000 . ?
C49 C48 1.398(11) . ?
C49 H49 0.9500 . ?
C158 H158 0.9500 . ?
F14 C81 1.350(12) . ?
C64 C63 1.391(10) . ?
C64 H64 0.9500 . ?
C16 C18 1.521(14) . ?
C16 H16 1.0000 . ?
F28 C156 1.322(10) . ?
F5 C66 1.351(12) . ?
C87 C86 1.374(11) . ?
C34 H34 0.9500 . ?
C81 F15 1.294(11) . ?
C81 F14A 1.311(13) . ?
C81 F13A 1.320(13) . ?
C81 F15A 1.329(13) . ?
C81 C79 1.496(11) . ?
C94 C95 1.355(13) . ?
C94 H94 0.9500 . ?
F33 C163 1.351(11) . ?
C56 C58 1.535(12) . ?
C56 C57 1.545(13) . ?
C56 H56 1.0000 . ?
F4 C66 1.277(12) . ?
F6 C66 1.341(13) . ?
C123 C124 1.353(11) . ?
C123 H123 0.9500 . ?
F16 C82 1.301(10) . ?
C166 H166 0.9500 . ?
C95 C96 1.394(11) . ?
C95 H95 0.9500 . ?
C141 C140 1.391(15) . ?
C141 C142 1.402(12) . ?
C141 H141 0.9500 . ?
F39 C171 1.281(12) . ?
C51 H51 0.9500 . ?
C68 H68 0.9500 . ?
C168 C169 1.409(11) . ?
C168 H168 0.9500 . ?
C96 C100 1.495(12) . ?
C86 C85 1.372(11) . ?
C86 H86 0.9500 . ?
C131 C133 1.507(12) . ?
C131 C132 1.543(13) . ?
C131 H131 1.0000 . ?
C5 C4 1.368(12) . ?
C5 H5 0.9500 . ?
C116 C117 1.379(13) . ?
C116 C121 1.399(13) . ?
C36 C37 1.412(11) . ?
C36 C41A 1.52(5) . ?
C36 C41 1.55(5) . ?
F48 C180 1.372(16) . ?
C79 C78 1.344(11) . ?
C113 C114 1.377(12) . ?
C113 C112 1.388(13) . ?
C113 H113 0.9500 . ?
C110 C115 1.371(11) . ?
C110 C111 1.411(10) . ?
C39 C38 1.397(14) . ?
C39 H39 0.9500 . ?
C41 C43 1.56(3) . ?
C41 C42 1.58(3) . ?
C41 H41 1.0000 . ?
C124 H124 0.9500 . ?
C174 C175 1.386(10) . ?
C174 H174 0.9500 . ?
C139 C140 1.381(14) . ?
C139 H139 0.9500 . ?
C63 C66 1.506(12) . ?
C152 C151 1.384(11) . ?
C152 H152 0.9500 . ?
C77 C78 1.403(11) . ?
C77 C82 1.478(12) . ?
C142 C46A 1.33(5) . ?
C142 C146 1.58(3) . ?
C3 C4 1.355(12) . ?
C3 C2 1.404(11) . ?
C3 H3 0.9500 . ?
C44 C45 1.527(14) . ?
C44 C46 1.538(13) . ?
C44 H44 1.0000 . ?
C65 F2 1.306(10) . ?
C65 F1 1.326(11) . ?
C65 F3 1.357(12) . ?
C82 F17 1.324(12) . ?
C46A C48A 1.50(5) . ?
C46A C47A 1.58(6) . ?
C46A H46A 1.0000 . ?
C2 C7 1.534(12) . ?
C177 C176 1.401(12) . ?
C177 C180 1.477(15) . ?
C30 H30 0.9500 . ?
C53 C55 1.489(13) . ?
C53 C54 1.514(15) . ?
C53 C48 1.537(11) . ?
C53 H53 1.0000 . ?
C100 C102 1.527(15) . ?
C100 C101 1.564(14) . ?
C100 H100 1.0000 . ?
C111 C112 1.380(13) . ?
C111 H111 0.9500 . ?
C176 C175 1.388(12) . ?
C176 H176 0.9500 . ?
C115 C114 1.398(13) . ?
C115 H115 0.9500 . ?
C114 H114 0.9500 . ?
C27 C28 1.381(14) . ?
C27 H27 0.9500 . ?
F37 C171 1.310(13) . ?
C78 H78 0.9500 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C66 F4A 1.326(15) . ?
C66 F6A 1.328(15) . ?
C66 F5A 1.333(14) . ?
C37 C38 1.366(13) . ?
C37 H37 0.9500 . ?
C4 H4 0.9500 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C140 H140 0.9500 . ?
F46 C180 1.329(14) . ?
F38 C171 1.336(14) . ?
F47 C180 1.253(12) . ?
C106 C107 1.505(14) . ?
C106 C108 1.535(19) . ?
C106 H106 1.0000 . ?
C128 C127 1.362(12) . ?
C128 C129 1.383(13) . ?
C128 H128 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C135 H13A 0.9800 . ?
C135 H13B 0.9800 . ?
C135 H13C 0.9800 . ?
C102 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C136 H13D 0.9800 . ?
C136 H13E 0.9800 . ?
C136 H13F 0.9800 . ?
C129 H129 0.9500 . ?
C112 H112 0.9500 . ?
C97 C99 1.511(15) . ?
C97 C98 1.548(14) . ?
C97 H97 1.0000 . ?
C133 H13G 0.9800 . ?
C133 H13H 0.9800 . ?
C133 H13I 0.9800 . ?
C117 C118 1.384(14) . ?
C117 H117 0.9500 . ?
C127 H127 0.9500 . ?
C132 H13J 0.9800 . ?
C132 H13K 0.9800 . ?
C132 H13L 0.9800 . ?
C28 H28 0.9500 . ?
C38 H38 0.9500 . ?
C119 C120 1.328(16) . ?
C119 C118 1.357(16) . ?
C119 H119 0.9500 . ?
F43 C179 1.348(13) . ?
C120 C121 1.391(13) . ?
C120 H120 0.9500 . ?
C121 H121 0.9500 . ?
F44 C179 1.329(14) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C118 H118 0.9500 . ?
C20 C25 1.379(17) . ?
C20 C21 1.387(15) . ?
C101 H10F 0.9800 . ?
C101 H10G 0.9800 . ?
C101 H10H 0.9800 . ?
C175 C179 1.488(12) . ?
F45 C179 1.276(12) . ?
C15 C13 1.557(12) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C13 C14 1.517(15) . ?
C13 H13 1.0000 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C144 H14D 0.9800 . ?
C144 H14E 0.9800 . ?
C144 H14F 0.9800 . ?
C145 H14G 0.9800 . ?
C145 H14H 0.9800 . ?
C145 H14I 0.9800 . ?
C03A C04A 1.519(15) . ?
C03A C05A 1.534(14) . ?
C03A H03A 1.0000 . ?
C104 C103 1.45(3) . ?
C104 H10I 0.9800 . ?
C104 H10J 0.9800 . ?
C104 H10K 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C147 C146 1.47(4) . ?
C147 H14J 0.9800 . ?
C147 H14K 0.9800 . ?
C147 H14L 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C46 H46D 0.9800 . ?
C107 H10L 0.9800 . ?
C107 H10M 0.9800 . ?
C107 H10N 0.9800 . ?
C148 C146 1.66(4) . ?
C148 H14M 0.9800 . ?
C148 H14N 0.9800 . ?
C148 H14O 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C23 C22 1.32(2) . ?
C23 C24 1.34(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.426(17) . ?
C24 H24 0.9500 . ?
C108 H10O 0.9800 . ?
C108 H10P 0.9800 . ?
C108 H10Q 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C05A H05A 0.9800 . ?
C05A H05B 0.9800 . ?
C05A H05C 0.9800 . ?
C105 C103 1.43(3) . ?
C105 H10R 0.9800 . ?
C105 H10S 0.9800 . ?
C105 H10T 0.9800 . ?
C103 H103 1.0000 . ?
C04A H04A 0.9800 . ?
C04A H04B 0.9800 . ?
C04A H04C 0.9800 . ?
C48A H48A 0.9797 . ?
C48A H48B 0.9805 . ?
C48A H48C 0.9799 . ?
C146 H146 1.0000 . ?
C47A H47A 0.9800 . ?
C47A H47B 0.9800 . ?
C47A H47C 0.9800 . ?
C43A C41A 1.537(15) . ?
C43A H43D 0.9800 . ?
C43A H43E 0.9800 . ?
C43A H43F 0.9800 . ?
C42A C41A 1.544(14) . ?
C42A H42D 0.9800 . ?
C42A H42E 0.9800 . ?
C42A H42F 0.9800 . ?
C41A H41A 1.0000 . ?
C21 C22 1.394(16) . ?
C21 H21 0.9500 . ?
C25 H25 0.9500 . ?
C22 H22 0.9500 . ?
C7 C9 1.507(18) . ?
C7 C8 1.506(17) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C24A C25A 1.404(14) . ?
C24A C23A 1.404(14) . ?
C24A H24A 0.9500 . ?
C25A C20A 1.406(14) . ?
C25A H25A 0.9500 . ?
C23A C22A 1.407(14) . ?
C23A H23A 0.9500 . ?
C22A C21A 1.408(14) . ?
C22A H22A 0.9500 . ?
C20A C21A 1.408(14) . ?
C21A H21A 0.9500 . ?
