#------------------------------------------------------------------------------
#$Date: 2019-11-24 09:21:19 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237446 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/82/4088297.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_4088297
loop_
_publ_author_name
'McCrea-Hendrick, Madison L.'
'Caputo, Christine A.'
'Roberts, Christopher J.'
'Fettinger, James C.'
'Tuononen, Heikki M.'
'Power, Philip P.'
_publ_section_title
;
 Reactions of Terphenyl-Substituted Digallene AriPr4GaGaAriPr4 (AriPr4 =
 C6H3-2,6-(C6H3-2,6-iPr2)2) with Transition Metal Carbonyls and
 Theoretical Investigation of the Mechanism of Addition
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              579
_journal_paper_doi               10.1021/acs.organomet.5b00992
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C64 H74 Ga2 Mo O4'
_chemical_formula_sum            'C64 H74 Ga2 Mo O4'
_chemical_formula_weight         1142.61
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 108.830(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.888(4)
_cell_length_b                   23.746(4)
_cell_length_c                   21.433(4)
_cell_measurement_reflns_used    9436
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.78
_cell_measurement_theta_min      2.46
_cell_volume                     11507(3)
_computing_cell_refinement       'SAINT (8.34a) (Bruker, 2013)'
_computing_data_collection       'Apex2 (2013.10-2) (Bruker, 2013)'
_computing_data_reduction        'SAINT (8.34a) (Bruker, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2013)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0188
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            51795
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         1.244
_exptl_absorpt_coefficient_mu    1.190
_exptl_absorpt_correction_T_max  0.7339
_exptl_absorpt_correction_T_min  0.6366
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2012/1 (Sheldrick, 2012)'
_exptl_crystal_colour            'Pale Yellow'
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_description       Block
_exptl_crystal_F_000             4752
_exptl_crystal_size_max          0.368
_exptl_crystal_size_mid          0.351
_exptl_crystal_size_min          0.345
_refine_diff_density_max         0.484
_refine_diff_density_min         -0.303
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     660
_refine_ls_number_reflns         13208
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0225
_refine_ls_R_factor_gt           0.0199
_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)+(0.0266P)²+10.3147P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0529
_refine_ls_wR_factor_ref         0.0543
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12117
_reflns_number_total             13208
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om5b00992_si_002.cif
_cod_data_source_block           MMH40FMI
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        11506(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4088297
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.669
_shelx_estimated_absorpt_t_max   0.684
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Ga1 Ga 0.89570(2) 0.56614(2) 0.24452(2) 0.01162(3) Uani 1 1 d . . .
Mo1 Mo 1.0000 0.56545(2) 0.2500 0.01008(3) Uani 1 2 d S T P
C1 C 0.81249(5) 0.56823(5) 0.24289(6) 0.0118(2) Uani 1 1 d . . .
C2 C 0.79714(5) 0.55394(5) 0.29908(6) 0.0124(2) Uani 1 1 d . . .
C3 C 0.73834(5) 0.55823(5) 0.29740(6) 0.0145(2) Uani 1 1 d . . .
H3 H 0.7280 0.5489 0.3354 0.017 Uiso 1 1 calc R U .
C4 C 0.69498(5) 0.57613(5) 0.24036(6) 0.0154(2) Uani 1 1 d . . .
H4 H 0.6552 0.5793 0.2397 0.018 Uiso 1 1 calc R U .
C5 C 0.70942(5) 0.58941(5) 0.18408(6) 0.0142(2) Uani 1 1 d . . .
H5 H 0.6794 0.6010 0.1451 0.017 Uiso 1 1 calc R U .
C6 C 0.76798(5) 0.58560(5) 0.18508(6) 0.0121(2) Uani 1 1 d . . .
C7 C 0.84338(5) 0.53325(5) 0.36048(6) 0.0130(2) Uani 1 1 d . . .
C8 C 0.86022(5) 0.47604(5) 0.36519(6) 0.0142(2) Uani 1 1 d . . .
C9 C 0.90226(5) 0.45709(5) 0.42330(6) 0.0179(2) Uani 1 1 d . . .
H9 H 0.9143 0.4188 0.4270 0.022 Uiso 1 1 calc R U .
C10 C 0.92657(6) 0.49347(6) 0.47566(6) 0.0200(3) Uani 1 1 d . . .
H10 H 0.9546 0.4798 0.5151 0.024 Uiso 1 1 calc R U .
C11 C 0.91009(6) 0.54982(6) 0.47053(6) 0.0201(3) Uani 1 1 d . . .
H11 H 0.9274 0.5745 0.5065 0.024 Uiso 1 1 calc R U .
C12 C 0.86839(5) 0.57083(5) 0.41332(6) 0.0164(2) Uani 1 1 d . . .
C13 C 0.83291(6) 0.43404(5) 0.30985(6) 0.0161(2) Uani 1 1 d . . .
H13 H 0.8021 0.4542 0.2739 0.019 Uiso 1 1 calc R U .
C14 C 0.87922(6) 0.41076(6) 0.28119(7) 0.0256(3) Uani 1 1 d . . .
H14A H 0.8963 0.4418 0.2631 0.038 Uiso 1 1 calc R U .
H14B H 0.8604 0.3838 0.2461 0.038 Uiso 1 1 calc R U .
H14C H 0.9106 0.3918 0.3160 0.038 Uiso 1 1 calc R U .
C15 C 0.80303(6) 0.38514(6) 0.33338(7) 0.0247(3) Uani 1 1 d . . .
H15A H 0.8330 0.3631 0.3664 0.037 Uiso 1 1 calc R U .
H15B H 0.7827 0.3610 0.2958 0.037 Uiso 1 1 calc R U .
H15C H 0.7743 0.4000 0.3530 0.037 Uiso 1 1 calc R U .
C16 C 0.85194(6) 0.63312(5) 0.40817(6) 0.0203(3) Uani 1 1 d . . .
H16 H 0.8147 0.6375 0.3701 0.024 Uiso 1 1 calc R U .
C17 C 0.90008(8) 0.66830(7) 0.39325(9) 0.0361(4) Uani 1 1 d . . .
H17A H 0.9376 0.6638 0.4292 0.054 Uiso 1 1 calc R U .
H17B H 0.8885 0.7081 0.3893 0.054 Uiso 1 1 calc R U .
H17C H 0.9049 0.6554 0.3518 0.054 Uiso 1 1 calc R U .
C18 C 0.83994(8) 0.65548(7) 0.46947(8) 0.0369(4) Uani 1 1 d . . .
H18A H 0.8088 0.6329 0.4779 0.055 Uiso 1 1 calc R U .
H18B H 0.8272 0.6948 0.4624 0.055 Uiso 1 1 calc R U .
H18C H 0.8762 0.6530 0.5075 0.055 Uiso 1 1 calc R U .
C19 C 0.78485(5) 0.59929(5) 0.12506(6) 0.0129(2) Uani 1 1 d . . .
C20 C 0.79809(5) 0.65549(5) 0.11334(6) 0.0153(2) Uani 1 1 d . . .
C21 C 0.81694(6) 0.66664(5) 0.05922(6) 0.0203(3) Uani 1 1 d . . .
H21 H 0.8266 0.7041 0.0510 0.024 Uiso 1 1 calc R U .
C22 C 0.82174(6) 0.62382(6) 0.01743(7) 0.0246(3) Uani 1 1 d . . .
H22 H 0.8350 0.6321 -0.0189 0.029 Uiso 1 1 calc R U .
C23 C 0.80737(6) 0.56896(6) 0.02819(7) 0.0230(3) Uani 1 1 d . . .
H23 H 0.8101 0.5401 -0.0013 0.028 Uiso 1 1 calc R U .
C24 C 0.78881(6) 0.55565(5) 0.08209(6) 0.0170(2) Uani 1 1 d . . .
C25 C 0.79304(6) 0.70354(5) 0.15823(6) 0.0197(2) Uani 1 1 d . . .
H25 H 0.7755 0.6881 0.1912 0.024 Uiso 1 1 calc R U .
C26 C 0.85412(7) 0.72746(6) 0.19593(8) 0.0314(3) Uani 1 1 d . . .
H26A H 0.8788 0.6977 0.2230 0.047 Uiso 1 1 calc R U .
H26B H 0.8499 0.7583 0.2244 0.047 Uiso 1 1 calc R U .
H26C H 0.8728 0.7417 0.1645 0.047 Uiso 1 1 calc R U .
C27 C 0.75217(7) 0.75024(6) 0.11943(8) 0.0321(3) Uani 1 1 d . . .
H27A H 0.7693 0.7671 0.0880 0.048 Uiso 1 1 calc R U .
H27B H 0.7477 0.7792 0.1500 0.048 Uiso 1 1 calc R U .
H27C H 0.7133 0.7343 0.0955 0.048 Uiso 1 1 calc R U .
C28 C 0.77351(6) 0.49482(5) 0.09290(7) 0.0207(3) Uani 1 1 d . . .
H28 H 0.7621 0.4937 0.1339 0.025 Uiso 1 1 calc R U .
C29 C 0.82714(7) 0.45626(6) 0.10359(9) 0.0336(3) Uani 1 1 d . . .
H29A H 0.8387 0.4558 0.0637 0.050 Uiso 1 1 calc R U .
H29B H 0.8169 0.4180 0.1132 0.050 Uiso 1 1 calc R U .
H29C H 0.8601 0.4703 0.1407 0.050 Uiso 1 1 calc R U .
C30 C 0.72090(7) 0.47311(7) 0.03605(9) 0.0408(4) Uani 1 1 d . . .
H30A H 0.6861 0.4964 0.0323 0.061 Uiso 1 1 calc R U .
H30B H 0.7127 0.4339 0.0446 0.061 Uiso 1 1 calc R U .
H30C H 0.7303 0.4751 -0.0052 0.061 Uiso 1 1 calc R U .
C31 C 0.98525(5) 0.50582(5) 0.17775(6) 0.0145(2) Uani 1 1 d . . .
O31 O 0.97782(4) 0.47262(4) 0.13700(4) 0.02116(19) Uani 1 1 d . . .
C32 C 1.02100(5) 0.62379(5) 0.32480(6) 0.0159(2) Uani 1 1 d . . .
O32 O 1.03372(4) 0.65488(4) 0.36793(5) 0.0236(2) Uani 1 1 d . . .
Mo41 Mo 0.0000 0.06252(2) 0.2500 0.01019(3) Uani 1 2 d S T P
Ga41 Ga 0.0000 -0.04084(2) 0.2500 0.01142(4) Uani 1 2 d S T P
Ga42 Ga 0.0000 0.16628(2) 0.2500 0.01213(4) Uani 1 2 d S T P
C41 C 0.0000 -0.12408(7) 0.2500 0.0118(3) Uani 1 2 d S T P
C42 C 0.00314(5) -0.15410(5) 0.19455(6) 0.0122(2) Uani 1 1 d . . .
C43 C 0.0000 -0.24190(7) 0.2500 0.0167(3) Uani 1 2 d S T P
H43 H 0.0000 -0.2819 0.2500 0.020 Uiso 1 2 calc R U P
C44 C 0.00318(5) -0.21296(5) 0.19481(6) 0.0149(2) Uani 1 1 d . . .
H44 H 0.0054 -0.2332 0.1574 0.018 Uiso 1 1 calc R U .
C45 C 0.00708(5) -0.12278(5) 0.13526(6) 0.0125(2) Uani 1 1 d . . .
C46 C -0.04465(5) -0.11263(5) 0.08148(6) 0.0146(2) Uani 1 1 d . . .
C47 C -0.03929(6) -0.08417(5) 0.02660(6) 0.0178(2) Uani 1 1 d . . .
H47 H -0.0737 -0.0768 -0.0099 0.021 Uiso 1 1 calc R U .
C48 C 0.01572(6) -0.06651(5) 0.02467(6) 0.0184(2) Uani 1 1 d . . .
H48 H 0.0188 -0.0480 -0.0134 0.022 Uiso 1 1 calc R U .
C49 C 0.06602(6) -0.07594(5) 0.07820(6) 0.0169(2) Uani 1 1 d . . .
H49 H 0.1032 -0.0629 0.0769 0.020 Uiso 1 1 calc R U .
C50 C 0.06284(5) -0.10428(5) 0.13409(6) 0.0137(2) Uani 1 1 d . . .
C51 C -0.10523(5) -0.13089(5) 0.08375(6) 0.0184(2) Uani 1 1 d . . .
H51 H -0.0987 -0.1617 0.1172 0.022 Uiso 1 1 calc R U .
C52 C -0.13596(7) -0.08220(7) 0.10673(8) 0.0335(3) Uani 1 1 d . . .
H52A H -0.1116 -0.0702 0.1509 0.050 Uiso 1 1 calc R U .
H52B H -0.1747 -0.0947 0.1079 0.050 Uiso 1 1 calc R U .
H52C H -0.1412 -0.0505 0.0760 0.050 Uiso 1 1 calc R U .
C53 C -0.14562(6) -0.15416(7) 0.01812(7) 0.0301(3) Uani 1 1 d . . .
H53A H -0.1548 -0.1242 -0.0151 0.045 Uiso 1 1 calc R U .
H53B H -0.1824 -0.1680 0.0237 0.045 Uiso 1 1 calc R U .
H53C H -0.1256 -0.1852 0.0038 0.045 Uiso 1 1 calc R U .
C54 C 0.11941(5) -0.11579(5) 0.19098(6) 0.0159(2) Uani 1 1 d . . .
H54 H 0.1082 -0.1349 0.2268 0.019 Uiso 1 1 calc R U .
C55 C 0.15158(6) -0.06096(5) 0.21906(7) 0.0221(3) Uani 1 1 d . . .
H55A H 0.1635 -0.0417 0.1849 0.033 Uiso 1 1 calc R U .
H55B H 0.1867 -0.0696 0.2567 0.033 Uiso 1 1 calc R U .
H55C H 0.1251 -0.0365 0.2335 0.033 Uiso 1 1 calc R U .
C56 C 0.16048(6) -0.15538(6) 0.16941(7) 0.0253(3) Uani 1 1 d . . .
H56A H 0.1387 -0.1894 0.1495 0.038 Uiso 1 1 calc R U .
H56B H 0.1941 -0.1659 0.2079 0.038 Uiso 1 1 calc R U .
H56C H 0.1749 -0.1362 0.1370 0.038 Uiso 1 1 calc R U .
C57 C 0.0000 0.24983(7) 0.2500 0.0129(3) Uani 1 2 d S T P
C58 C 0.02891(5) 0.27959(5) 0.30829(6) 0.0131(2) Uani 1 1 d . . .
C59 C 0.02881(5) 0.33854(5) 0.30793(6) 0.0151(2) Uani 1 1 d . . .
H59 H 0.0484 0.3588 0.3472 0.018 Uiso 1 1 calc R U .
C60 C 0.0000 0.36743(7) 0.2500 0.0156(3) Uani 1 2 d S T P
H60 H 0.0000 0.4074 0.2500 0.019 Uiso 1 2 calc R U P
C61 C 0.05876(5) 0.24701(5) 0.37017(6) 0.0138(2) Uani 1 1 d . . .
C62 C 0.02592(6) 0.23119(5) 0.41153(6) 0.0173(2) Uani 1 1 d . . .
C63 C 0.05323(6) 0.19733(6) 0.46634(7) 0.0231(3) Uani 1 1 d . . .
H63 H 0.0317 0.1860 0.4945 0.028 Uiso 1 1 calc R U .
C64 C 0.11137(6) 0.18009(6) 0.47997(7) 0.0252(3) Uani 1 1 d . . .
H64 H 0.1291 0.1565 0.5169 0.030 Uiso 1 1 calc R U .
C65 C 0.14379(6) 0.19703(6) 0.44012(7) 0.0218(3) Uani 1 1 d . . .
H65 H 0.1838 0.1854 0.4504 0.026 Uiso 1 1 calc R U .
C66 C 0.11840(6) 0.23094(5) 0.38495(6) 0.0167(2) Uani 1 1 d . . .
C67 C -0.03817(6) 0.24948(5) 0.39749(7) 0.0197(2) Uani 1 1 d . . .
H67 H -0.0483 0.2761 0.3593 0.024 Uiso 1 1 calc R U .
C68 C -0.08026(6) 0.19900(6) 0.37779(7) 0.0257(3) Uani 1 1 d . . .
H68A H -0.0756 0.1809 0.3387 0.039 Uiso 1 1 calc R U .
H68B H -0.1212 0.2120 0.3679 0.039 Uiso 1 1 calc R U .
H68C H -0.0709 0.1719 0.4142 0.039 Uiso 1 1 calc R U .
C69 C -0.04710(7) 0.28078(7) 0.45610(8) 0.0320(3) Uani 1 1 d . . .
H69A H -0.0364 0.2560 0.4947 0.048 Uiso 1 1 calc R U .
H69B H -0.0886 0.2920 0.4451 0.048 Uiso 1 1 calc R U .
H69C H -0.0219 0.3144 0.4660 0.048 Uiso 1 1 calc R U .
C70 C 0.15582(6) 0.25028(6) 0.34316(7) 0.0206(3) Uani 1 1 d . . .
H70 H 0.1306 0.2746 0.3069 0.025 Uiso 1 1 calc R U .
C71 C 0.17709(7) 0.20027(7) 0.31178(8) 0.0308(3) Uani 1 1 d . . .
H71A H 0.2019 0.1757 0.3465 0.046 Uiso 1 1 calc R U .
H71B H 0.2002 0.2141 0.2845 0.046 Uiso 1 1 calc R U .
H71C H 0.1428 0.1790 0.2842 0.046 Uiso 1 1 calc R U .
C72 C 0.20864(7) 0.28556(7) 0.38436(9) 0.0341(3) Uani 1 1 d . . .
H72A H 0.1943 0.3176 0.4038 0.051 Uiso 1 1 calc R U .
H72B H 0.2307 0.2994 0.3560 0.051 Uiso 1 1 calc R U .
H72C H 0.2346 0.2622 0.4196 0.051 Uiso 1 1 calc R U .
C73 C -0.03668(5) 0.05984(5) 0.32402(6) 0.0143(2) Uani 1 1 d . . .
O73 O -0.05696(4) 0.05746(4) 0.36574(4) 0.02096(19) Uani 1 1 d . . .
C74 C 0.08110(6) 0.06345(5) 0.32199(6) 0.0158(2) Uani 1 1 d . . .
O74 O 0.12596(4) 0.06390(4) 0.36287(5) 0.0238(2) Uani 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'
H H 0.0000 0.0000 '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'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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
C1 Ga1 Mo1 178.05(3) . .
C31 Mo1 C31 92.27(7) . 2_755
C31 Mo1 C32 175.96(4) . .
C31 Mo1 C32 86.38(5) 2_755 .
C31 Mo1 C32 86.38(5) . 2_755
C31 Mo1 C32 175.96(4) 2_755 2_755
C32 Mo1 C32 95.22(7) . 2_755
C31 Mo1 Ga1 87.99(3) . 2_755
C31 Mo1 Ga1 92.54(3) 2_755 2_755
C32 Mo1 Ga1 88.27(3) . 2_755
C32 Mo1 Ga1 91.21(3) 2_755 2_755
C31 Mo1 Ga1 92.54(3) . .
C31 Mo1 Ga1 87.99(3) 2_755 .
C32 Mo1 Ga1 91.22(3) . .
C32 Mo1 Ga1 88.27(3) 2_755 .
Ga1 Mo1 Ga1 179.239(8) 2_755 .
C2 C1 C6 119.43(11) . .
C2 C1 Ga1 121.09(8) . .
C6 C1 Ga1 119.47(8) . .
C3 C2 C1 119.83(11) . .
C3 C2 C7 119.70(10) . .
C1 C2 C7 120.47(10) . .
C4 C3 C2 120.17(11) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 120.56(11) . .
C3 C4 H4 119.7 . .
C5 C4 H4 119.7 . .
C4 C5 C6 119.94(11) . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C5 C6 C1 120.06(11) . .
C5 C6 C19 121.17(10) . .
C1 C6 C19 118.77(10) . .
C8 C7 C12 120.89(11) . .
C8 C7 C2 119.32(10) . .
C12 C7 C2 119.77(10) . .
C9 C8 C7 118.67(11) . .
C9 C8 C13 119.09(11) . .
C7 C8 C13 122.23(10) . .
C10 C9 C8 120.88(12) . .
C10 C9 H9 119.6 . .
C8 C9 H9 119.6 . .
C9 C10 C11 120.14(12) . .
C9 C10 H10 119.9 . .
C11 C10 H10 119.9 . .
C10 C11 C12 121.10(12) . .
C10 C11 H11 119.5 . .
C12 C11 H11 119.5 . .
C11 C12 C7 118.31(11) . .
C11 C12 C16 120.22(11) . .
C7 C12 C16 121.45(11) . .
C8 C13 C15 111.56(10) . .
C8 C13 C14 111.40(10) . .
C15 C13 C14 109.40(11) . .
C8 C13 H13 108.1 . .
C15 C13 H13 108.1 . .
C14 C13 H13 108.1 . .
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 . .
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 . .
C12 C16 C18 112.97(11) . .
C12 C16 C17 110.47(11) . .
C18 C16 C17 110.54(12) . .
C12 C16 H16 107.5 . .
C18 C16 H16 107.5 . .
C17 C16 H16 107.5 . .
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 . .
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 . .
C24 C19 C20 120.81(11) . .
C24 C19 C6 119.56(10) . .
C20 C19 C6 119.61(10) . .
C21 C20 C19 118.48(11) . .
C21 C20 C25 119.66(11) . .
C19 C20 C25 121.85(11) . .
C22 C21 C20 120.93(12) . .
C22 C21 H21 119.5 . .
C20 C21 H21 119.5 . .
C21 C22 C23 120.43(12) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C22 C23 C24 120.72(12) . .
C22 C23 H23 119.6 . .
C24 C23 H23 119.6 . .
C23 C24 C19 118.61(11) . .
C23 C24 C28 119.60(11) . .
C19 C24 C28 121.79(11) . .
C20 C25 C26 110.82(11) . .
C20 C25 C27 111.46(11) . .
C26 C25 C27 110.46(11) . .
C20 C25 H25 108.0 . .
C26 C25 H25 108.0 . .
C27 C25 H25 108.0 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C24 C28 C30 111.93(12) . .
C24 C28 C29 111.05(11) . .
C30 C28 C29 110.50(12) . .
C24 C28 H28 107.7 . .
C30 C28 H28 107.7 . .
C29 C28 H28 107.7 . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O31 C31 Mo1 178.87(11) . .
O32 C32 Mo1 177.66(11) . .
C73 Mo41 C73 176.43(6) . 2
C73 Mo41 C74 87.36(5) . .
C73 Mo41 C74 92.68(5) 2 .
C73 Mo41 C74 92.68(5) . 2
C73 Mo41 C74 87.36(5) 2 2
C74 Mo41 C74 178.78(6) . 2
C73 Mo41 Ga41 88.21(3) . .
C73 Mo41 Ga41 88.21(3) 2 .
C74 Mo41 Ga41 90.61(3) . .
C74 Mo41 Ga41 90.61(3) 2 .
C73 Mo41 Ga42 91.79(3) . .
C73 Mo41 Ga42 91.79(3) 2 .
C74 Mo41 Ga42 89.39(3) . .
C74 Mo41 Ga42 89.39(3) 2 .
Ga41 Mo41 Ga42 180.0 . .
C41 Ga41 Mo41 180.0 . .
C57 Ga42 Mo41 180.0 . .
C42 C41 C42 119.19(14) 2 .
C42 C41 Ga41 120.40(7) 2 .
C42 C41 Ga41 120.40(7) . .
C44 C42 C41 120.19(11) . .
C44 C42 C45 119.90(10) . .
C41 C42 C45 119.90(10) . .
C44 C43 C44 120.80(15) 2 .
C44 C43 H43 119.6 2 .
C44 C43 H43 119.6 . .
C43 C44 C42 119.81(11) . .
C43 C44 H44 120.1 . .
C42 C44 H44 120.1 . .
C50 C45 C46 120.99(11) . .
C50 C45 C42 119.14(10) . .
C46 C45 C42 119.87(10) . .
C47 C46 C45 118.40(11) . .
C47 C46 C51 120.63(11) . .
C45 C46 C51 120.95(11) . .
C48 C47 C46 120.94(11) . .
C48 C47 H47 119.5 . .
C46 C47 H47 119.5 . .
C49 C48 C47 120.07(11) . .
C49 C48 H48 120.0 . .
C47 C48 H48 120.0 . .
C48 C49 C50 121.00(12) . .
C48 C49 H49 119.5 . .
C50 C49 H49 119.5 . .
C49 C50 C45 118.57(11) . .
C49 C50 C54 119.51(11) . .
C45 C50 C54 121.90(10) . .
C46 C51 C53 113.36(11) . .
C46 C51 C52 110.69(11) . .
C53 C51 C52 110.03(11) . .
C46 C51 H51 107.5 . .
C53 C51 H51 107.5 . .
C52 C51 H51 107.5 . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C51 C53 H53A 109.5 . .
C51 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C51 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C50 C54 C55 111.38(10) . .
C50 C54 C56 110.91(10) . .
C55 C54 C56 110.52(11) . .
C50 C54 H54 108.0 . .
C55 C54 H54 108.0 . .
C56 C54 H54 108.0 . .
C54 C55 H55A 109.5 . .
C54 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C54 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C54 C56 H56A 109.5 . .
C54 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C54 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C58 C57 C58 119.70(15) 2 .
C58 C57 Ga42 120.15(7) 2 .
C58 C57 Ga42 120.15(7) . .
C59 C58 C57 119.86(11) . .
C59 C58 C61 121.31(10) . .
C57 C58 C61 118.83(10) . .
C60 C59 C58 119.85(11) . .
C60 C59 H59 120.1 . .
C58 C59 H59 120.1 . .
C59 C60 C59 120.88(15) . 2
C59 C60 H60 119.6 . .
C59 C60 H60 119.6 2 .
C66 C61 C62 120.91(11) . .
C66 C61 C58 119.70(11) . .
C62 C61 C58 119.36(11) . .
C63 C62 C61 118.51(12) . .
C63 C62 C67 119.72(11) . .
C61 C62 C67 121.77(11) . .
C64 C63 C62 120.73(12) . .
C64 C63 H63 119.6 . .
C62 C63 H63 119.6 . .
C65 C64 C63 120.40(12) . .
C65 C64 H64 119.8 . .
C63 C64 H64 119.8 . .
C64 C65 C66 120.87(12) . .
C64 C65 H65 119.6 . .
C66 C65 H65 119.6 . .
C65 C66 C61 118.54(11) . .
C65 C66 C70 119.58(11) . .
C61 C66 C70 121.87(11) . .
C62 C67 C69 111.88(11) . .
C62 C67 C68 111.03(11) . .
C69 C67 C68 110.64(11) . .
C62 C67 H67 107.7 . .
C69 C67 H67 107.7 . .
C68 C67 H67 107.7 . .
C67 C68 H68A 109.5 . .
C67 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C67 C69 H69A 109.5 . .
C67 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
C67 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C66 C70 C71 111.40(11) . .
C66 C70 C72 110.80(11) . .
C71 C70 C72 110.41(12) . .
C66 C70 H70 108.0 . .
C71 C70 H70 108.0 . .
C72 C70 H70 108.0 . .
C70 C71 H71A 109.5 . .
C70 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C70 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C70 C72 H72A 109.5 . .
C70 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
C70 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
O73 C73 Mo41 178.92(10) . .
O74 C74 Mo41 178.99(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ga1 C1 1.9772(12) .
Ga1 Mo1 2.4562(5) .
Mo1 C31 2.0431(12) .
Mo1 C31 2.0432(12) 2_755
Mo1 C32 2.0547(13) .
Mo1 C32 2.0547(13) 2_755
Mo1 Ga1 2.4562(5) 2_755
C1 C2 1.4089(16) .
C1 C6 1.4091(16) .
C2 C3 1.3972(16) .
C2 C7 1.5017(16) .
C3 C4 1.3895(17) .
C3 H3 0.9500 .
C4 C5 1.3934(17) .
C4 H4 0.9500 .
C5 C6 1.3950(16) .
C5 H5 0.9500 .
C6 C19 1.5024(16) .
C7 C8 1.4112(17) .
C7 C12 1.4138(17) .
C8 C9 1.3981(17) .
C8 C13 1.5255(17) .
C9 C10 1.3864(18) .
C9 H9 0.9500 .
C10 C11 1.3891(19) .
C10 H10 0.9500 .
C11 C12 1.3987(17) .
C11 H11 0.9500 .
C12 C16 1.5253(17) .
C13 C15 1.5312(17) .
C13 C14 1.5315(18) .
C13 H13 1.0000 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C18 1.5275(19) .
C16 C17 1.536(2) .
C16 H16 1.0000 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C24 1.4098(17) .
C19 C20 1.4126(16) .
C20 C21 1.3983(17) .
C20 C25 1.5220(17) .
C21 C22 1.3838(19) .
C21 H21 0.9500 .
C22 C23 1.3852(19) .
C22 H22 0.9500 .
C23 C24 1.4007(18) .
C23 H23 0.9500 .
C24 C28 1.5259(17) .
C25 C26 1.5308(19) .
C25 C27 1.5330(19) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C30 1.530(2) .
C28 C29 1.531(2) .
C28 H28 1.0000 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 O31 1.1471(15) .
C32 O32 1.1447(16) .
Mo41 C73 2.0460(13) .
Mo41 C73 2.0461(13) 2
Mo41 C74 2.0505(13) .
Mo41 C74 2.0505(13) 2
Mo41 Ga41 2.4544(5) .
Mo41 Ga42 2.4637(5) .
Ga41 C41 1.9767(16) .
Ga42 C57 1.9839(16) .
C41 C42 1.4085(14) 2
C41 C42 1.4085(14) .
C42 C44 1.3977(16) .
C42 C45 1.5012(16) .
C43 C44 1.3911(14) 2
C43 C44 1.3911(14) .
C43 H43 0.9500 .
C44 H44 0.9500 .
C45 C50 1.4103(16) .
C45 C46 1.4123(16) .
C46 C47 1.3978(17) .
C46 C51 1.5263(17) .
C47 C48 1.3926(18) .
C47 H47 0.9500 .
C48 C49 1.3857(18) .
C48 H48 0.9500 .
C49 C50 1.3973(17) .
C49 H49 0.9500 .
C50 C54 1.5244(16) .
C51 C53 1.5294(18) .
C51 C52 1.5335(19) .
C51 H51 1.0000 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 C55 1.5327(17) .
C54 C56 1.5339(17) .
C54 H54 1.0000 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 C58 1.4073(14) 2
C57 C58 1.4073(14) .
C58 C59 1.3998(16) .
C58 C61 1.5018(16) .
C59 C60 1.3908(14) .
C59 H59 0.9500 .
C60 C59 1.3908(14) 2
C60 H60 0.9500 .
C61 C66 1.4086(17) .
C61 C62 1.4110(17) .
C62 C63 1.3991(18) .
C62 C67 1.5250(18) .
C63 C64 1.386(2) .
C63 H63 0.9500 .
C64 C65 1.3849(19) .
C64 H64 0.9500 .
C65 C66 1.3969(18) .
C65 H65 0.9500 .
C66 C70 1.5261(17) .
C67 C69 1.5326(19) .
C67 C68 1.5335(19) .
C67 H67 1.0000 .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
C70 C71 1.5300(19) .
C70 C72 1.534(2) .
C70 H70 1.0000 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C73 O73 1.1476(16) .
C74 O74 1.1446(16) .
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_4
C6 C1 C2 C3 -1.31(16) . .
Ga1 C1 C2 C3 177.14(8) . .
C6 C1 C2 C7 177.72(10) . .
Ga1 C1 C2 C7 -3.83(15) . .
C1 C2 C3 C4 0.47(17) . .
C7 C2 C3 C4 -178.57(11) . .
C2 C3 C4 C5 0.70(18) . .
C3 C4 C5 C6 -1.00(18) . .
C4 C5 C6 C1 0.14(17) . .
C4 C5 C6 C19 179.62(11) . .
C2 C1 C6 C5 1.01(16) . .
Ga1 C1 C6 C5 -177.46(8) . .
C2 C1 C6 C19 -178.48(10) . .
Ga1 C1 C6 C19 3.04(14) . .
C3 C2 C7 C8 96.85(13) . .
C1 C2 C7 C8 -82.18(14) . .
C3 C2 C7 C12 -81.62(14) . .
C1 C2 C7 C12 99.35(13) . .
C12 C7 C8 C9 0.00(17) . .
C2 C7 C8 C9 -178.45(10) . .
C12 C7 C8 C13 178.33(11) . .
C2 C7 C8 C13 -0.12(16) . .
C7 C8 C9 C10 0.71(18) . .
C13 C8 C9 C10 -177.67(11) . .
C8 C9 C10 C11 -1.15(19) . .
C9 C10 C11 C12 0.9(2) . .
C10 C11 C12 C7 -0.18(19) . .
C10 C11 C12 C16 -178.66(12) . .
C8 C7 C12 C11 -0.26(17) . .
C2 C7 C12 C11 178.18(11) . .
C8 C7 C12 C16 178.20(11) . .
C2 C7 C12 C16 -3.35(17) . .
C9 C8 C13 C15 57.32(15) . .
C7 C8 C13 C15 -121.00(12) . .
C9 C8 C13 C14 -65.27(14) . .
C7 C8 C13 C14 116.41(12) . .
C11 C12 C16 C18 -46.44(17) . .
C7 C12 C16 C18 135.12(13) . .
C11 C12 C16 C17 77.96(15) . .
C7 C12 C16 C17 -100.47(14) . .
C5 C6 C19 C24 -94.68(14) . .
C1 C6 C19 C24 84.81(14) . .
C5 C6 C19 C20 87.02(14) . .
C1 C6 C19 C20 -93.48(13) . .
C24 C19 C20 C21 -1.88(17) . .
C6 C19 C20 C21 176.39(11) . .
C24 C19 C20 C25 178.82(11) . .
C6 C19 C20 C25 -2.91(17) . .
C19 C20 C21 C22 0.93(19) . .
C25 C20 C21 C22 -179.75(12) . .
C20 C21 C22 C23 0.6(2) . .
C21 C22 C23 C24 -1.2(2) . .
C22 C23 C24 C19 0.2(2) . .
C22 C23 C24 C28 -179.75(13) . .
C20 C19 C24 C23 1.32(18) . .
C6 C19 C24 C23 -176.96(11) . .
C20 C19 C24 C28 -178.72(11) . .
C6 C19 C24 C28 3.01(17) . .
C21 C20 C25 C26 -67.15(15) . .
C19 C20 C25 C26 112.14(13) . .
C21 C20 C25 C27 56.30(16) . .
C19 C20 C25 C27 -124.41(13) . .
C23 C24 C28 C30 -62.86(17) . .
C19 C24 C28 C30 117.18(14) . .
C23 C24 C28 C29 61.16(17) . .
C19 C24 C28 C29 -118.80(14) . .
C42 C41 C42 C44 -0.06(8) 2 .
Ga41 C41 C42 C44 179.94(8) . .
C42 C41 C42 C45 -179.44(11) 2 .
Ga41 C41 C42 C45 0.57(11) . .
C44 C43 C44 C42 -0.05(8) 2 .
C41 C42 C44 C43 0.11(15) . .
C45 C42 C44 C43 179.49(9) . .
C44 C42 C45 C50 -95.26(13) . .
C41 C42 C45 C50 84.12(13) . .
C44 C42 C45 C46 84.27(14) . .
C41 C42 C45 C46 -96.35(12) . .
C50 C45 C46 C47 0.57(17) . .
C42 C45 C46 C47 -178.95(10) . .
C50 C45 C46 C51 -177.89(11) . .
C42 C45 C46 C51 2.59(16) . .
C45 C46 C47 C48 0.39(18) . .
C51 C46 C47 C48 178.85(11) . .
C46 C47 C48 C49 -1.43(19) . .
C47 C48 C49 C50 1.51(18) . .
C48 C49 C50 C45 -0.56(18) . .
C48 C49 C50 C54 177.75(11) . .
C46 C45 C50 C49 -0.49(17) . .
C42 C45 C50 C49 179.04(10) . .
C46 C45 C50 C54 -178.76(10) . .
C42 C45 C50 C54 0.77(16) . .
C47 C46 C51 C53 40.65(16) . .
C45 C46 C51 C53 -140.93(12) . .
C47 C46 C51 C52 -83.53(15) . .
C45 C46 C51 C52 94.90(14) . .
C49 C50 C54 C55 59.51(15) . .
C45 C50 C54 C55 -122.24(12) . .
C49 C50 C54 C56 -64.03(15) . .
C45 C50 C54 C56 114.22(13) . .
C58 C57 C58 C59 -0.08(8) 2 .
Ga42 C57 C58 C59 179.92(8) . .
C58 C57 C58 C61 179.14(11) 2 .
Ga42 C57 C58 C61 -0.86(11) . .
C57 C58 C59 C60 0.16(15) . .
C61 C58 C59 C60 -179.04(9) . .
C58 C59 C60 C59 -0.08(8) . 2
C59 C58 C61 C66 -91.13(14) . .
C57 C58 C61 C66 89.67(13) . .
C59 C58 C61 C62 91.12(14) . .
C57 C58 C61 C62 -88.09(13) . .
C66 C61 C62 C63 -2.38(18) . .
C58 C61 C62 C63 175.35(11) . .
C66 C61 C62 C67 178.29(11) . .
C58 C61 C62 C67 -3.98(17) . .
C61 C62 C63 C64 0.5(2) . .
C67 C62 C63 C64 179.84(13) . .
C62 C63 C64 C65 1.2(2) . .
C63 C64 C65 C66 -1.1(2) . .
C64 C65 C66 C61 -0.79(19) . .
C64 C65 C66 C70 178.25(12) . .
C62 C61 C66 C65 2.52(18) . .
C58 C61 C66 C65 -175.20(11) . .
C62 C61 C66 C70 -176.50(11) . .
C58 C61 C66 C70 5.78(17) . .
C63 C62 C67 C69 56.59(16) . .
C61 C62 C67 C69 -124.09(13) . .
C63 C62 C67 C68 -67.57(16) . .
C61 C62 C67 C68 111.75(13) . .
C65 C66 C70 C71 62.76(16) . .
C61 C66 C70 C71 -118.23(13) . .
C65 C66 C70 C72 -60.57(16) . .
C61 C66 C70 C72 118.44(13) . .
