#------------------------------------------------------------------------------
#$Date: 2019-11-24 09:21:19 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237446 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/82/4088295.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_4088295
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 Cr Ga2 O4'
_chemical_formula_sum            'C64 H74 Cr Ga2 O4'
_chemical_formula_weight         1098.67
_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-2013
_cell_angle_alpha                90
_cell_angle_beta                 109.243(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.711(3)
_cell_length_b                   23.470(3)
_cell_length_c                   21.496(2)
_cell_measurement_reflns_used    9789
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      30.58
_cell_measurement_theta_min      2.35
_cell_volume                     11294(2)
_computing_cell_refinement       'SAINT (8.34a) (Bruker, 2013)'
_computing_data_collection       'Apex2 (2010-11.3) (Bruker, 2010)'
_computing_data_reduction        'SAINT (8.34a) (Bruker, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_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  0.0170
_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            58947
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_min         2.475
_exptl_absorpt_coefficient_mu    1.182
_exptl_absorpt_correction_T_max  0.8075
_exptl_absorpt_correction_T_min  0.7077
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2012/1 (Sheldrick, 2012)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_description       Block
_exptl_crystal_F_000             4608
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.220
_refine_diff_density_max         0.490
_refine_diff_density_min         -0.454
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     660
_refine_ls_number_reflns         16464
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0228
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0318P)²+7.7533P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0617
_refine_ls_wR_factor_ref         0.0636
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14694
_reflns_number_total             16464
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om5b00992_si_002.cif
_cod_data_source_block           CC29FMI
_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_sg_symbol_H-M      'C 2/c'
_cod_database_code               4088295
_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   0.741
_shelx_estimated_absorpt_t_max   0.781
_shelxl_version_number           2013-4
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 0.90088(2) 0.56695(2) 0.24442(2) 0.01110(3) Uani 1 1 d . . .
Cr1 Cr 1.0000 0.56627(2) 0.2500 0.00999(4) Uani 1 2 d S T P
C1 C 0.81688(4) 0.56939(4) 0.24240(5) 0.01125(17) Uani 1 1 d . . .
C2 C 0.80107(4) 0.55576(4) 0.29802(5) 0.01170(17) Uani 1 1 d . . .
C3 C 0.74147(5) 0.56046(4) 0.29528(5) 0.01395(18) Uani 1 1 d . . .
H3 H 0.7307 0.5516 0.3330 0.017 Uiso 1 1 calc R U .
C4 C 0.69804(4) 0.57795(4) 0.23768(5) 0.01440(18) Uani 1 1 d . . .
H4 H 0.6577 0.5813 0.2363 0.017 Uiso 1 1 calc R U .
C5 C 0.71303(4) 0.59054(4) 0.18205(5) 0.01399(18) Uani 1 1 d . . .
H5 H 0.6829 0.6020 0.1426 0.017 Uiso 1 1 calc R U .
C6 C 0.77224(4) 0.58645(4) 0.18410(5) 0.01155(17) Uani 1 1 d . . .
C7 C 0.84666(4) 0.53464(4) 0.35988(5) 0.01255(17) Uani 1 1 d . . .
C8 C 0.86235(4) 0.47661(4) 0.36522(5) 0.01367(18) Uani 1 1 d . . .
C9 C 0.90358(5) 0.45699(5) 0.42405(5) 0.01744(19) Uani 1 1 d . . .
H9 H 0.9151 0.4180 0.4280 0.021 Uiso 1 1 calc R U .
C10 C 0.92776(5) 0.49337(5) 0.47647(5) 0.0199(2) Uani 1 1 d . . .
H10 H 0.9551 0.4792 0.5165 0.024 Uiso 1 1 calc R U .
C11 C 0.91227(5) 0.55059(5) 0.47091(5) 0.0200(2) Uani 1 1 d . . .
H11 H 0.9296 0.5754 0.5071 0.024 Uiso 1 1 calc R U .
C12 C 0.87170(5) 0.57230(4) 0.41298(5) 0.01585(19) Uani 1 1 d . . .
C13 C 0.83435(5) 0.43444(4) 0.30986(5) 0.01552(19) Uani 1 1 d . . .
H13 H 0.8029 0.4549 0.2741 0.019 Uiso 1 1 calc R U .
C14 C 0.88049(6) 0.41136(5) 0.28091(7) 0.0261(2) Uani 1 1 d . . .
H14A H 0.8972 0.4429 0.2627 0.039 Uiso 1 1 calc R U .
H14B H 0.8613 0.3840 0.2458 0.039 Uiso 1 1 calc R U .
H14C H 0.9126 0.3923 0.3156 0.039 Uiso 1 1 calc R U .
C15 C 0.80472(5) 0.38473(5) 0.33314(6) 0.0237(2) Uani 1 1 d . . .
H15A H 0.8352 0.3626 0.3662 0.035 Uiso 1 1 calc R U .
H15B H 0.7842 0.3603 0.2955 0.035 Uiso 1 1 calc R U .
H15C H 0.7757 0.3995 0.3526 0.035 Uiso 1 1 calc R U .
C16 C 0.85609(5) 0.63534(5) 0.40736(6) 0.0198(2) Uani 1 1 d . . .
H16 H 0.8180 0.6399 0.3698 0.024 Uiso 1 1 calc R U .
C17 C 0.90427(7) 0.66951(6) 0.39087(8) 0.0339(3) Uani 1 1 d . . .
H17A H 0.9428 0.6641 0.4257 0.051 Uiso 1 1 calc R U .
H17B H 0.8937 0.7100 0.3876 0.051 Uiso 1 1 calc R U .
H17C H 0.9072 0.6563 0.3488 0.051 Uiso 1 1 calc R U .
C18 C 0.84594(8) 0.65931(6) 0.46870(7) 0.0363(3) Uani 1 1 d . . .
H18A H 0.8149 0.6371 0.4785 0.054 Uiso 1 1 calc R U .
H18B H 0.8332 0.6992 0.4610 0.054 Uiso 1 1 calc R U .
H18C H 0.8832 0.6571 0.5061 0.054 Uiso 1 1 calc R U .
C19 C 0.78905(4) 0.59976(4) 0.12456(5) 0.01234(17) Uani 1 1 d . . .
C20 C 0.80072(4) 0.65652(4) 0.11149(5) 0.01433(18) Uani 1 1 d . . .
C21 C 0.81908(5) 0.66755(5) 0.05751(5) 0.0191(2) Uani 1 1 d . . .
H21 H 0.8280 0.7055 0.0486 0.023 Uiso 1 1 calc R U .
C22 C 0.82455(5) 0.62395(5) 0.01670(6) 0.0225(2) Uani 1 1 d . . .
H22 H 0.8375 0.6322 -0.0197 0.027 Uiso 1 1 calc R U .
C23 C 0.81132(6) 0.56835(5) 0.02851(6) 0.0218(2) Uani 1 1 d . . .
H23 H 0.8144 0.5389 -0.0004 0.026 Uiso 1 1 calc R U .
C24 C 0.79346(5) 0.55526(4) 0.08245(5) 0.01632(19) Uani 1 1 d . . .
C25 C 0.79426(5) 0.70528(4) 0.15501(5) 0.0180(2) Uani 1 1 d . . .
H25 H 0.7761 0.6898 0.1874 0.022 Uiso 1 1 calc R U .
C26 C 0.85537(6) 0.73007(6) 0.19369(7) 0.0305(3) Uani 1 1 d . . .
H26A H 0.8803 0.7003 0.2214 0.046 Uiso 1 1 calc R U .
H26B H 0.8503 0.7614 0.2215 0.046 Uiso 1 1 calc R U .
H26C H 0.8747 0.7444 0.1629 0.046 Uiso 1 1 calc R U .
C27 C 0.75297(6) 0.75186(5) 0.11511(7) 0.0301(3) Uani 1 1 d . . .
H27A H 0.7709 0.7691 0.0845 0.045 Uiso 1 1 calc R U .
H27B H 0.7473 0.7811 0.1451 0.045 Uiso 1 1 calc R U .
H27C H 0.7142 0.7352 0.0902 0.045 Uiso 1 1 calc R U .
C28 C 0.77853(5) 0.49394(5) 0.09411(6) 0.0199(2) Uani 1 1 d . . .
H28 H 0.7689 0.4930 0.1360 0.024 Uiso 1 1 calc R U .
C29 C 0.83123(6) 0.45438(6) 0.10238(8) 0.0351(3) Uani 1 1 d . . .
H29A H 0.8406 0.4533 0.0613 0.053 Uiso 1 1 calc R U .
H29B H 0.8211 0.4160 0.1131 0.053 Uiso 1 1 calc R U .
H29C H 0.8660 0.4684 0.1381 0.053 Uiso 1 1 calc R U .
C30 C 0.72371(7) 0.47249(7) 0.03898(9) 0.0461(4) Uani 1 1 d . . .
H30A H 0.6891 0.4962 0.0370 0.069 Uiso 1 1 calc R U .
H30B H 0.7157 0.4329 0.0477 0.069 Uiso 1 1 calc R U .
H30C H 0.7312 0.4747 -0.0032 0.069 Uiso 1 1 calc R U .
C31 C 0.98745(4) 0.51044(4) 0.18346(5) 0.01427(18) Uani 1 1 d . . .
O31 O 0.98049(4) 0.47713(3) 0.14256(4) 0.02097(16) Uani 1 1 d . . .
C32 C 1.02075(4) 0.62145(4) 0.31819(5) 0.01531(18) Uani 1 1 d . . .
O32 O 1.03389(4) 0.65379(3) 0.36058(4) 0.02244(16) Uani 1 1 d . . .
Cr41 Cr 0.0000 0.06339(2) 0.2500 0.01023(4) Uani 1 2 d S T P
Ga41 Ga 0.0000 -0.03496(2) 0.2500 0.01093(3) Uani 1 2 d S T P
Ga42 Ga 0.0000 0.16218(2) 0.2500 0.01159(3) Uani 1 2 d S T P
C41 C 0.0000 -0.11922(5) 0.2500 0.0112(2) Uani 1 2 d S T P
C42 C 0.00264(4) -0.14946(4) 0.19462(5) 0.01145(17) Uani 1 1 d . . .
C43 C 0.0000 -0.23820(6) 0.2500 0.0158(3) Uani 1 2 d S T P
H43 H 0.0000 -0.2787 0.2500 0.019 Uiso 1 2 calc R U P
C44 C 0.00262(5) -0.20888(4) 0.19501(5) 0.01466(18) Uani 1 1 d . . .
H44 H 0.0044 -0.2293 0.1576 0.018 Uiso 1 1 calc R U .
C45 C 0.00690(4) -0.11866(4) 0.13565(5) 0.01190(17) Uani 1 1 d . . .
C46 C -0.04506(4) -0.10892(4) 0.08110(5) 0.01405(18) Uani 1 1 d . . .
C47 C -0.03902(5) -0.08197(5) 0.02593(5) 0.01734(19) Uani 1 1 d . . .
H47 H -0.0735 -0.0749 -0.0112 0.021 Uiso 1 1 calc R U .
C48 C 0.01668(5) -0.06521(4) 0.02430(5) 0.0178(2) Uani 1 1 d . . .
H48 H 0.0201 -0.0475 -0.0141 0.021 Uiso 1 1 calc R U .
C49 C 0.06716(5) -0.07421(4) 0.07838(5) 0.01664(19) Uani 1 1 d . . .
H49 H 0.1049 -0.0617 0.0773 0.020 Uiso 1 1 calc R U .
C50 C 0.06334(4) -0.10143(4) 0.13457(5) 0.01346(18) Uani 1 1 d . . .
C51 C -0.10617(5) -0.12651(5) 0.08305(5) 0.01770(19) Uani 1 1 d . . .
H51 H -0.1000 -0.1582 0.1158 0.021 Uiso 1 1 calc R U .
C52 C -0.13608(6) -0.07742(7) 0.10694(7) 0.0325(3) Uani 1 1 d . . .
H52A H -0.1113 -0.0663 0.1515 0.049 Uiso 1 1 calc R U .
H52B H -0.1754 -0.0896 0.1075 0.049 Uiso 1 1 calc R U .
H52C H -0.1407 -0.0448 0.0772 0.049 Uiso 1 1 calc R U .
C53 C -0.14784(6) -0.14859(6) 0.01706(6) 0.0293(3) Uani 1 1 d . . .
H53A H -0.1573 -0.1176 -0.0153 0.044 Uiso 1 1 calc R U .
H53B H -0.1848 -0.1628 0.0226 0.044 Uiso 1 1 calc R U .
H53C H -0.1282 -0.1796 0.0015 0.044 Uiso 1 1 calc R U .
C54 C 0.12007(4) -0.11334(4) 0.19165(5) 0.01537(19) Uani 1 1 d . . .
H54 H 0.1085 -0.1324 0.2273 0.018 Uiso 1 1 calc R U .
C55 C 0.15306(5) -0.05838(5) 0.21977(6) 0.0219(2) Uani 1 1 d . . .
H55A H 0.1652 -0.0391 0.1858 0.033 Uiso 1 1 calc R U .
H55B H 0.1885 -0.0674 0.2575 0.033 Uiso 1 1 calc R U .
H55C H 0.1266 -0.0334 0.2341 0.033 Uiso 1 1 calc R U .
C56 C 0.16108(5) -0.15394(5) 0.17080(6) 0.0248(2) Uani 1 1 d . . .
H56A H 0.1386 -0.1881 0.1507 0.037 Uiso 1 1 calc R U .
H56B H 0.1948 -0.1649 0.2096 0.037 Uiso 1 1 calc R U .
H56C H 0.1761 -0.1349 0.1388 0.037 Uiso 1 1 calc R U .
C57 C 0.0000 0.24670(6) 0.2500 0.0123(2) Uani 1 2 d S T P
C58 C 0.02863(4) 0.27680(4) 0.30832(5) 0.01244(17) Uani 1 1 d . . .
C59 C 0.02856(5) 0.33623(4) 0.30798(5) 0.01476(18) Uani 1 1 d . . .
H59 H 0.0481 0.3566 0.3474 0.018 Uiso 1 1 calc R U .
C60 C 0.0000 0.36560(6) 0.2500 0.0150(3) Uani 1 2 d S T P
H60 H 0.0000 0.4061 0.2500 0.018 Uiso 1 2 calc R U P
C61 C 0.05853(4) 0.24436(4) 0.37018(5) 0.01327(17) Uani 1 1 d . . .
C62 C 0.02531(5) 0.22837(4) 0.41093(5) 0.01609(19) Uani 1 1 d . . .
C63 C 0.05281(5) 0.19451(5) 0.46590(6) 0.0217(2) Uani 1 1 d . . .
H63 H 0.0310 0.1832 0.4938 0.026 Uiso 1 1 calc R U .
C64 C 0.11161(5) 0.17724(5) 0.48037(6) 0.0234(2) Uani 1 1 d . . .
H64 H 0.1294 0.1533 0.5173 0.028 Uiso 1 1 calc R U .
C65 C 0.14451(5) 0.19465(5) 0.44132(6) 0.0204(2) Uani 1 1 d . . .
H65 H 0.1851 0.1832 0.4523 0.025 Uiso 1 1 calc R U .
C66 C 0.11898(5) 0.22872(4) 0.38614(5) 0.01574(19) Uani 1 1 d . . .
C67 C -0.03924(5) 0.24704(5) 0.39615(6) 0.0179(2) Uani 1 1 d . . .
H67 H -0.0493 0.2740 0.3581 0.021 Uiso 1 1 calc R U .
C68 C -0.08197(5) 0.19645(5) 0.37619(6) 0.0252(2) Uani 1 1 d . . .
H68A H -0.0778 0.1783 0.3369 0.038 Uiso 1 1 calc R U .
H68B H -0.1231 0.2098 0.3666 0.038 Uiso 1 1 calc R U .
H68C H -0.0724 0.1688 0.4123 0.038 Uiso 1 1 calc R U .
C69 C -0.04806(6) 0.27853(6) 0.45447(7) 0.0311(3) Uani 1 1 d . . .
H69A H -0.0373 0.2533 0.4930 0.047 Uiso 1 1 calc R U .
H69B H -0.0900 0.2900 0.4433 0.047 Uiso 1 1 calc R U .
H69C H -0.0225 0.3124 0.4646 0.047 Uiso 1 1 calc R U .
C70 C 0.15693(5) 0.24896(5) 0.34585(6) 0.0197(2) Uani 1 1 d . . .
H70 H 0.1317 0.2742 0.3099 0.024 Uiso 1 1 calc R U .
C71 C 0.17857(6) 0.19921(6) 0.31392(7) 0.0305(3) Uani 1 1 d . . .
H71A H 0.2026 0.1733 0.3482 0.046 Uiso 1 1 calc R U .
H71B H 0.2030 0.2137 0.2884 0.046 Uiso 1 1 calc R U .
H71C H 0.1441 0.1786 0.2846 0.046 Uiso 1 1 calc R U .
C72 C 0.21030(6) 0.28396(6) 0.38828(8) 0.0326(3) Uani 1 1 d . . .
H72A H 0.1960 0.3153 0.4092 0.049 Uiso 1 1 calc R U .
H72B H 0.2321 0.2994 0.3604 0.049 Uiso 1 1 calc R U .
H72C H 0.2370 0.2595 0.4223 0.049 Uiso 1 1 calc R U .
C73 C -0.03223(5) 0.06026(4) 0.31940(5) 0.01456(18) Uani 1 1 d . . .
O73 O -0.05157(4) 0.05753(4) 0.36180(4) 0.02108(16) Uani 1 1 d . . .
C74 C 0.07722(5) 0.06492(4) 0.31414(5) 0.01533(19) Uani 1 1 d . . .
O74 O 0.12379(4) 0.06560(4) 0.35335(4) 0.02284(17) 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'
Cr Cr 0.3209 0.6236 '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'
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 Cr1 177.95(3) . .
C31 Cr1 C31 92.20(6) . 2_755
C31 Cr1 C32 174.36(4) . .
C31 Cr1 C32 87.27(4) 2_755 .
C31 Cr1 C32 87.27(4) . 2_755
C31 Cr1 C32 174.36(4) 2_755 2_755
C32 Cr1 C32 93.79(6) . 2_755
C31 Cr1 Ga1 87.01(3) . 2_755
C31 Cr1 Ga1 93.54(3) 2_755 2_755
C32 Cr1 Ga1 87.42(3) . 2_755
C32 Cr1 Ga1 92.04(3) 2_755 2_755
C31 Cr1 Ga1 93.54(3) . .
C31 Cr1 Ga1 87.00(3) 2_755 .
C32 Cr1 Ga1 92.04(3) . .
C32 Cr1 Ga1 87.42(3) 2_755 .
Ga1 Cr1 Ga1 179.211(11) 2_755 .
C2 C1 C6 119.37(9) . .
C2 C1 Ga1 121.63(7) . .
C6 C1 Ga1 118.98(7) . .
C3 C2 C1 119.74(9) . .
C3 C2 C7 119.20(9) . .
C1 C2 C7 121.04(9) . .
C4 C3 C2 120.23(9) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 120.48(9) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
C4 C5 C6 120.00(9) . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C5 C6 C1 120.17(9) . .
C5 C6 C19 120.60(9) . .
C1 C6 C19 119.23(9) . .
C8 C7 C12 120.74(9) . .
C8 C7 C2 119.20(9) . .
C12 C7 C2 120.01(9) . .
C9 C8 C7 118.71(9) . .
C9 C8 C13 119.22(9) . .
C7 C8 C13 122.04(9) . .
C10 C9 C8 120.93(10) . .
C10 C9 H9 119.5 . .
C8 C9 H9 119.5 . .
C9 C10 C11 120.14(10) . .
C9 C10 H10 119.9 . .
C11 C10 H10 119.9 . .
C10 C11 C12 121.04(10) . .
C10 C11 H11 119.5 . .
C12 C11 H11 119.5 . .
C11 C12 C7 118.43(10) . .
C11 C12 C16 120.30(10) . .
C7 C12 C16 121.26(9) . .
C8 C13 C14 111.31(9) . .
C8 C13 C15 111.68(9) . .
C14 C13 C15 109.36(9) . .
C8 C13 H13 108.1 . .
C14 C13 H13 108.1 . .
C15 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 113.21(10) . .
C12 C16 C17 110.35(10) . .
C18 C16 C17 110.48(11) . .
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 . .
C20 C19 C24 120.83(9) . .
C20 C19 C6 119.63(9) . .
C24 C19 C6 119.54(9) . .
C21 C20 C19 118.59(9) . .
C21 C20 C25 119.77(9) . .
C19 C20 C25 121.63(9) . .
C22 C21 C20 120.83(10) . .
C22 C21 H21 119.6 . .
C20 C21 H21 119.6 . .
C21 C22 C23 120.46(10) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C22 C23 C24 120.64(10) . .
C22 C23 H23 119.7 . .
C24 C23 H23 119.7 . .
C23 C24 C19 118.59(10) . .
C23 C24 C28 119.76(10) . .
C19 C24 C28 121.64(9) . .
C20 C25 C26 110.64(9) . .
C20 C25 C27 111.69(10) . .
C26 C25 C27 110.50(10) . .
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 . .
C29 C28 C24 111.72(10) . .
C29 C28 C30 110.25(12) . .
C24 C28 C30 111.62(10) . .
C29 C28 H28 107.7 . .
C24 C28 H28 107.7 . .
C30 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 Cr1 178.72(10) . .
O32 C32 Cr1 178.29(10) . .
C73 Cr41 C73 175.53(6) . 2
C73 Cr41 C74 88.37(5) . .
C73 Cr41 C74 91.72(5) 2 .
C73 Cr41 C74 91.72(5) . 2
C73 Cr41 C74 88.37(5) 2 2
C74 Cr41 C74 177.83(6) . 2
C73 Cr41 Ga41 87.77(3) . .
C73 Cr41 Ga41 87.77(3) 2 .
C74 Cr41 Ga41 91.09(3) . .
C74 Cr41 Ga41 91.09(3) 2 .
C73 Cr41 Ga42 92.23(3) . .
C73 Cr41 Ga42 92.23(3) 2 .
C74 Cr41 Ga42 88.91(3) . .
C74 Cr41 Ga42 88.91(3) 2 .
Ga41 Cr41 Ga42 180.0 . .
C41 Ga41 Cr41 180.0 . .
C57 Ga42 Cr41 180.0 . .
C42 C41 C42 119.32(12) . 2
C42 C41 Ga41 120.34(6) . .
C42 C41 Ga41 120.34(6) 2 .
C44 C42 C41 119.99(9) . .
C44 C42 C45 119.34(9) . .
C41 C42 C45 120.65(9) . .
C44 C43 C44 120.50(13) 2 .
C44 C43 H43 119.7 2 .
C44 C43 H43 119.7 . .
C43 C44 C42 120.10(10) . .
C43 C44 H44 120.0 . .
C42 C44 H44 120.0 . .
C50 C45 C46 120.97(9) . .
C50 C45 C42 119.02(9) . .
C46 C45 C42 119.97(9) . .
C47 C46 C45 118.33(9) . .
C47 C46 C51 120.88(9) . .
C45 C46 C51 120.78(9) . .
C48 C47 C46 121.03(10) . .
C48 C47 H47 119.5 . .
C46 C47 H47 119.5 . .
C49 C48 C47 120.13(10) . .
C49 C48 H48 119.9 . .
C47 C48 H48 119.9 . .
C48 C49 C50 120.84(10) . .
C48 C49 H49 119.6 . .
C50 C49 H49 119.6 . .
C49 C50 C45 118.67(9) . .
C49 C50 C54 119.39(9) . .
C45 C50 C54 121.91(9) . .
C46 C51 C53 113.41(9) . .
C46 C51 C52 110.89(10) . .
C53 C51 C52 109.77(10) . .
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 111.49(9) . .
C50 C54 C56 110.93(9) . .
C55 C54 C56 110.50(9) . .
C50 C54 H54 107.9 . .
C55 C54 H54 107.9 . .
C56 C54 H54 107.9 . .
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 119.57(12) 2 .
C58 C57 Ga42 120.21(6) 2 .
C58 C57 Ga42 120.21(6) . .
C59 C58 C57 119.94(10) . .
C59 C58 C61 120.94(9) . .
C57 C58 C61 119.12(9) . .
C60 C59 C58 120.00(10) . .
C60 C59 H59 120.0 . .
C58 C59 H59 120.0 . .
C59 C60 C59 120.53(13) 2 .
C59 C60 H60 119.7 2 .
C59 C60 H60 119.7 . .
C62 C61 C66 120.80(9) . .
C62 C61 C58 119.42(9) . .
C66 C61 C58 119.76(9) . .
C63 C62 C61 118.55(10) . .
C63 C62 C67 119.87(10) . .
C61 C62 C67 121.58(9) . .
C64 C63 C62 120.78(10) . .
C64 C63 H63 119.6 . .
C62 C63 H63 119.6 . .
C65 C64 C63 120.31(10) . .
C65 C64 H64 119.8 . .
C63 C64 H64 119.8 . .
C64 C65 C66 120.87(10) . .
C64 C65 H65 119.6 . .
C66 C65 H65 119.6 . .
C65 C66 C61 118.62(10) . .
C65 C66 C70 119.56(10) . .
C61 C66 C70 121.81(9) . .
C62 C67 C68 111.30(9) . .
C62 C67 C69 111.60(10) . .
C68 C67 C69 110.42(10) . .
C62 C67 H67 107.8 . .
C68 C67 H67 107.8 . .
C69 C67 H67 107.8 . .
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 111.59(10) . .
C66 C70 C72 110.93(10) . .
C71 C70 C72 110.10(10) . .
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 Cr41 178.99(9) . .
O74 C74 Cr41 179.41(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ga1 C1 1.9787(10) .
Ga1 Cr1 2.3134(3) .
Cr1 C31 1.8897(11) .
Cr1 C31 1.8898(11) 2_755
Cr1 C32 1.8953(11) .
Cr1 C32 1.8954(11) 2_755
Cr1 Ga1 2.3134(3) 2_755
C1 C2 1.4029(14) .
C1 C6 1.4059(13) .
C2 C3 1.3993(14) .
C2 C7 1.4949(14) .
C3 C4 1.3863(14) .
C3 H3 0.9500 .
C4 C5 1.3869(14) .
C4 H4 0.9500 .
C5 C6 1.3934(13) .
C5 H5 0.9500 .
C6 C19 1.4936(13) .
C7 C8 1.4064(14) .
C7 C12 1.4106(14) .
C8 C9 1.3974(14) .
C8 C13 1.5218(14) .
C9 C10 1.3790(16) .
C9 H9 0.9500 .
C10 C11 1.3871(16) .
C10 H10 0.9500 .
C11 C12 1.3950(15) .
C11 H11 0.9500 .
C12 C16 1.5203(15) .
C13 C14 1.5251(16) .
C13 C15 1.5287(15) .
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 1.5239(17) .
C16 C17 1.5299(18) .
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 C20 1.4075(14) .
C19 C24 1.4083(14) .
C20 C21 1.3915(15) .
C20 C25 1.5175(14) .
C21 C22 1.3816(16) .
C21 H21 0.9500 .
C22 C23 1.3850(16) .
C22 H22 0.9500 .
C23 C24 1.3934(15) .
C23 H23 0.9500 .
C24 C28 1.5226(15) .
C25 C26 1.5281(16) .
C25 C27 1.5282(16) .
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 C29 1.5193(17) .
C28 C30 1.5270(19) .
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 1.1469(13) .
C32 O32 1.1474(13) .
Cr41 C73 1.8885(11) .
Cr41 C73 1.8885(11) 2
Cr41 C74 1.8950(11) .
Cr41 C74 1.8950(11) 2
Cr41 Ga41 2.3083(7) .
Cr41 Ga42 2.3186(7) .
Ga41 C41 1.9775(13) .
Ga42 C57 1.9837(13) .
C41 C42 1.4049(11) .
C41 C42 1.4050(11) 2
C42 C44 1.3946(13) .
C42 C45 1.4913(13) .
C43 C44 1.3867(12) 2
C43 C44 1.3867(12) .
C43 H43 0.9500 .
C44 H44 0.9500 .
C45 C50 1.4055(14) .
C45 C46 1.4117(14) .
C46 C47 1.3923(14) .
C46 C51 1.5204(15) .
C47 C48 1.3896(16) .
C47 H47 0.9500 .
C48 C49 1.3827(15) .
C48 H48 0.9500 .
C49 C50 1.3955(14) .
C49 H49 0.9500 .
C50 C54 1.5183(14) .
C51 C53 1.5273(16) .
C51 C52 1.5280(17) .
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 1.5262(14) .
C54 C56 1.5302(15) .
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 1.4037(12) 2
C57 C58 1.4038(12) .
C58 C59 1.3949(13) .
C58 C61 1.4930(14) .
C59 C60 1.3894(12) .
C59 H59 0.9500 .
C60 C59 1.3894(12) 2
C60 H60 0.9500 .
C61 C62 1.4082(14) .
C61 C66 1.4083(14) .
C62 C63 1.3947(15) .
C62 C67 1.5216(15) .
C63 C64 1.3854(17) .
C63 H63 0.9500 .
C64 C65 1.3826(16) .
C64 H64 0.9500 .
C65 C66 1.3926(15) .
C65 H65 0.9500 .
C66 C70 1.5162(15) .
C67 C68 1.5277(16) .
C67 C69 1.5278(17) .
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 1.5264(17) .
C70 C72 1.5321(17) .
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 1.1493(14) .
C74 O74 1.1474(14) .
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 -1.37(14) . .
Ga1 C1 C2 C3 177.20(7) . .
C6 C1 C2 C7 176.90(9) . .
Ga1 C1 C2 C7 -4.54(13) . .
C1 C2 C3 C4 0.66(14) . .
C7 C2 C3 C4 -177.64(9) . .
C2 C3 C4 C5 0.50(15) . .
C3 C4 C5 C6 -0.94(15) . .
C4 C5 C6 C1 0.21(15) . .
C4 C5 C6 C19 179.88(9) . .
C2 C1 C6 C5 0.94(14) . .
Ga1 C1 C6 C5 -177.67(7) . .
C2 C1 C6 C19 -178.73(9) . .
Ga1 C1 C6 C19 2.66(12) . .
C3 C2 C7 C8 95.87(11) . .
C1 C2 C7 C8 -82.40(12) . .
C3 C2 C7 C12 -81.68(12) . .
C1 C2 C7 C12 100.05(11) . .
C12 C7 C8 C9 -0.43(15) . .
C2 C7 C8 C9 -177.97(9) . .
C12 C7 C8 C13 177.57(9) . .
C2 C7 C8 C13 0.04(14) . .
C7 C8 C9 C10 1.18(15) . .
C13 C8 C9 C10 -176.88(10) . .
C8 C9 C10 C11 -1.36(17) . .
C9 C10 C11 C12 0.78(17) . .
C10 C11 C12 C7 -0.04(16) . .
C10 C11 C12 C16 -178.91(10) . .
C8 C7 C12 C11 -0.13(15) . .
C2 C7 C12 C11 177.39(10) . .
C8 C7 C12 C16 178.73(10) . .
C2 C7 C12 C16 -3.75(15) . .
C9 C8 C13 C14 -67.81(13) . .
C7 C8 C13 C14 114.20(11) . .
C9 C8 C13 C15 54.74(13) . .
C7 C8 C13 C15 -123.26(11) . .
C11 C12 C16 C18 -43.30(15) . .
C7 C12 C16 C18 137.86(12) . .
C11 C12 C16 C17 81.12(13) . .
C7 C12 C16 C17 -97.72(12) . .
C5 C6 C19 C20 85.32(12) . .
C1 C6 C19 C20 -95.01(11) . .
C5 C6 C19 C24 -95.16(12) . .
C1 C6 C19 C24 84.51(12) . .
C24 C19 C20 C21 -2.56(15) . .
C6 C19 C20 C21 176.95(9) . .
C24 C19 C20 C25 177.99(10) . .
C6 C19 C20 C25 -2.50(14) . .
C19 C20 C21 C22 1.37(16) . .
C25 C20 C21 C22 -179.17(10) . .
C20 C21 C22 C23 0.55(18) . .
C21 C22 C23 C24 -1.32(19) . .
C22 C23 C24 C19 0.13(17) . .
C22 C23 C24 C28 179.39(11) . .
C20 C19 C24 C23 1.82(15) . .
C6 C19 C24 C23 -177.69(10) . .
C20 C19 C24 C28 -177.42(10) . .
C6 C19 C24 C28 3.07(15) . .
C21 C20 C25 C26 -68.84(13) . .
C19 C20 C25 C26 110.60(12) . .
C21 C20 C25 C27 54.71(14) . .
C19 C20 C25 C27 -125.85(11) . .
C23 C24 C28 C29 59.01(15) . .
C19 C24 C28 C29 -121.76(12) . .
C23 C24 C28 C30 -64.96(15) . .
C19 C24 C28 C30 114.27(13) . .
C42 C41 C42 C44 -0.01(7) 2 .
Ga41 C41 C42 C44 179.99(7) . .
C42 C41 C42 C45 -178.58(10) 2 .
Ga41 C41 C42 C45 1.43(10) . .
C44 C43 C44 C42 -0.01(7) 2 .
C41 C42 C44 C43 0.01(13) . .
C45 C42 C44 C43 178.60(8) . .
C44 C42 C45 C50 -93.92(11) . .
C41 C42 C45 C50 84.65(11) . .
C44 C42 C45 C46 83.94(12) . .
C41 C42 C45 C46 -97.48(10) . .
C50 C45 C46 C47 0.27(14) . .
C42 C45 C46 C47 -177.56(9) . .
C50 C45 C46 C51 -178.71(9) . .
C42 C45 C46 C51 3.47(14) . .
C45 C46 C47 C48 0.24(15) . .
C51 C46 C47 C48 179.21(10) . .
C46 C47 C48 C49 -1.20(16) . .
C47 C48 C49 C50 1.66(16) . .
C48 C49 C50 C45 -1.15(15) . .
C48 C49 C50 C54 176.84(9) . .
C46 C45 C50 C49 0.18(14) . .
C42 C45 C50 C49 178.03(9) . .
C46 C45 C50 C54 -177.76(9) . .
C42 C45 C50 C54 0.09(14) . .
C47 C46 C51 C53 37.59(14) . .
C45 C46 C51 C53 -143.47(10) . .
C47 C46 C51 C52 -86.44(13) . .
C45 C46 C51 C52 92.50(12) . .
C49 C50 C54 C55 60.86(13) . .
C45 C50 C54 C55 -121.22(11) . .
C49 C50 C54 C56 -62.75(12) . .
C45 C50 C54 C56 115.18(11) . .
C58 C57 C58 C59 -0.11(7) 2 .
Ga42 C57 C58 C59 179.89(7) . .
C58 C57 C58 C61 179.53(10) 2 .
Ga42 C57 C58 C61 -0.47(10) . .
C57 C58 C59 C60 0.23(13) . .
C61 C58 C59 C60 -179.41(8) . .
C58 C59 C60 C59 -0.11(7) . 2
C59 C58 C61 C62 91.32(12) . .
C57 C58 C61 C62 -88.31(11) . .
C59 C58 C61 C66 -90.46(12) . .
C57 C58 C61 C66 89.90(11) . .
C66 C61 C62 C63 -2.86(15) . .
C58 C61 C62 C63 175.34(9) . .
C66 C61 C62 C67 177.29(9) . .
C58 C61 C62 C67 -4.52(14) . .
C61 C62 C63 C64 0.38(17) . .
C67 C62 C63 C64 -179.76(11) . .
C62 C63 C64 C65 1.73(19) . .
C63 C64 C65 C66 -1.39(18) . .
C64 C65 C66 C61 -1.05(16) . .
C64 C65 C66 C70 177.67(11) . .
C62 C61 C66 C65 3.19(15) . .
C58 C61 C66 C65 -175.00(9) . .
C62 C61 C66 C70 -175.50(10) . .
C58 C61 C66 C70 6.31(15) . .
C63 C62 C67 C68 -67.86(13) . .
C61 C62 C67 C68 111.99(11) . .
C63 C62 C67 C69 56.00(14) . .
C61 C62 C67 C69 -124.15(11) . .
C65 C66 C70 C71 64.07(14) . .
C61 C66 C70 C71 -117.26(12) . .
C65 C66 C70 C72 -59.10(14) . .
C61 C66 C70 C72 119.58(12) . .
