#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:41:18 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179023 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/21/4122137.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_4122137
loop_
_publ_author_name
'Braunschweig, Holger'
'Ye, Qing'
'Vargas, Alfredo'
'Dewhurst, Rian D.'
'Hupp, Florian'
_publ_section_title
;
 Complete and Partial 1,2-Additions across Transition Metal-Boron Double
 Bonds.
;
_journal_issue                   27
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9560
_journal_page_last               9563
_journal_paper_doi               10.1021/ja504761f
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'C46 H60 B2 Cl6 Fe2 Ga2 O6 P2'
_chemical_formula_sum            'C46 H60 B2 Cl6 Fe2 Ga2 O6 P2'
_chemical_formula_weight         1256.34
_chemical_name_common
;
?
;
_chemical_name_systematic
; 
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.775(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.480(3)
_cell_length_b                   9.9041(13)
_cell_length_c                   26.374(4)
_cell_measurement_reflns_used    5279
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.65
_cell_measurement_theta_min      2.26
_cell_volume                     5622.1(14)
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0501
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            21051
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    1.839
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6053
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2560
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.627
_refine_diff_density_min         -0.416
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         5767
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0260P)²+26.6189P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
_refine_ls_wR_factor_ref         0.0967
_reflns_number_gt                4552
_reflns_number_total             5767
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja504761f_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4122136--4122137.cif.
;
_cod_original_cell_volume        5622.2(14)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4122137
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ga01 Ga 0.423737(19) 0.26441(4) 0.255615(14) 0.01289(10) Uani 1 1 d .
Fe1 Fe 0.38640(2) 0.28023(5) 0.330302(18) 0.01271(12) Uani 1 1 d .
Cl1 Cl 0.36525(5) -0.02519(9) 0.27270(3) 0.0223(2) Uani 1 1 d .
P1 P 0.37874(5) 0.50933(9) 0.32633(4) 0.0189(2) Uani 1 1 d .
B1S B 0.38542(19) 0.0726(4) 0.33300(15) 0.0145(8) Uani 1 1 d .
Cl2 Cl 0.5000 0.10409(11) 0.2500 0.0142(3) Uani 1 2 d S
Cl3 Cl 0.36629(4) 0.26856(9) 0.17253(3) 0.0195(2) Uani 1 1 d .
Cl4 Cl 0.5000 0.43310(12) 0.2500 0.0174(3) Uani 1 2 d S
C11 C 0.3555(2) 0.5798(4) 0.26155(15) 0.0239(9) Uani 1 1 d .
H11A H 0.3508 0.6778 0.2640 0.036 Uiso 1 1 calc R
H11B H 0.3158 0.5401 0.2414 0.036 Uiso 1 1 calc R
H11C H 0.3871 0.5604 0.2436 0.036 Uiso 1 1 calc R
C12 C 0.4485(2) 0.6013(4) 0.3599(2) 0.0406(12) Uani 1 1 d .
H12A H 0.4818 0.5774 0.3444 0.061 Uiso 1 1 calc R
H12B H 0.4611 0.5778 0.3976 0.061 Uiso 1 1 calc R
H12C H 0.4404 0.6985 0.3559 0.061 Uiso 1 1 calc R
C13 C 0.3210(2) 0.5774(4) 0.35536(17) 0.0319(10) Uani 1 1 d .
H13A H 0.3186 0.6756 0.3505 0.048 Uiso 1 1 calc R
H13B H 0.3329 0.5563 0.3933 0.048 Uiso 1 1 calc R
H13C H 0.2805 0.5372 0.3380 0.048 Uiso 1 1 calc R
O21 O 0.51855(13) 0.2897(3) 0.38861(10) 0.0246(6) Uani 1 1 d .
C21 C 0.46747(18) 0.2822(3) 0.36582(13) 0.0158(8) Uani 1 1 d .
O22 O 0.34125(14) 0.2801(3) 0.42385(10) 0.0265(6) Uani 1 1 d .
C22 C 0.35903(18) 0.2786(4) 0.38734(14) 0.0187(8) Uani 1 1 d .
O23 O 0.26579(13) 0.2612(3) 0.25005(11) 0.0263(6) Uani 1 1 d .
C23 C 0.31272(18) 0.2677(4) 0.28115(14) 0.0176(8) Uani 1 1 d .
C31 C 0.39558(17) -0.0155(3) 0.38405(13) 0.0153(8) Uani 1 1 d .
C32 C 0.34376(18) -0.0489(4) 0.40099(14) 0.0177(8) Uani 1 1 d .
C33 C 0.35126(19) -0.1291(4) 0.44626(14) 0.0191(8) Uani 1 1 d .
C34 C 0.41043(19) -0.1743(4) 0.47347(14) 0.0208(9) Uani 1 1 d .
H34 H 0.4155 -0.2281 0.5042 0.025 Uiso 1 1 calc R
C35 C 0.46228(18) -0.1434(3) 0.45725(14) 0.0172(8) Uani 1 1 d .
C36 C 0.45497(17) -0.0641(3) 0.41171(14) 0.0157(8) Uani 1 1 d .
C37 C 0.27942(19) -0.0038(4) 0.37029(15) 0.0251(9) Uani 1 1 d .
H37A H 0.2817 0.0504 0.3398 0.038 Uiso 1 1 calc R
H37B H 0.2615 0.0507 0.3932 0.038 Uiso 1 1 calc R
H37C H 0.2532 -0.0831 0.3578 0.038 Uiso 1 1 calc R
C38 C 0.2967(2) -0.1698(4) 0.46483(16) 0.0304(10) Uani 1 1 d .
H38A H 0.2680 -0.2244 0.4375 0.046 Uiso 1 1 calc R
H38B H 0.2752 -0.0888 0.4717 0.046 Uiso 1 1 calc R
H38C H 0.3112 -0.2227 0.4975 0.046 Uiso 1 1 calc R
C39 C 0.5251(2) -0.1989(4) 0.48748(15) 0.0252(9) Uani 1 1 d .
H39A H 0.5208 -0.2547 0.5169 0.038 Uiso 1 1 calc R
H39B H 0.5536 -0.1239 0.5014 0.038 Uiso 1 1 calc R
H39C H 0.5416 -0.2539 0.4637 0.038 Uiso 1 1 calc R
C40 C 0.51047(18) -0.0369(4) 0.39247(15) 0.0200(8) Uani 1 1 d .
H40A H 0.5409 0.0166 0.4189 0.030 Uiso 1 1 calc R
H40B H 0.4974 0.0132 0.3590 0.030 Uiso 1 1 calc R
H40C H 0.5293 -0.1228 0.3869 0.030 Uiso 1 1 calc R
C61 C 0.3540(2) 0.6555(5) 0.07539(18) 0.0352(11) Uani 1 1 d U
C62 C 0.3784(2) 0.6611(5) 0.13002(17) 0.0375(11) Uani 1 1 d U
H62 H 0.3977 0.5832 0.1487 0.045 Uiso 1 1 calc R
C63 C 0.3753(2) 0.7777(5) 0.15758(17) 0.0368(11) Uani 1 1 d U
H63 H 0.3937 0.7804 0.1948 0.044 Uiso 1 1 calc R
C64 C 0.3454(2) 0.8910(5) 0.13147(19) 0.0427(12) Uani 1 1 d U
H64 H 0.3424 0.9709 0.1506 0.051 Uiso 1 1 calc R
C65 C 0.3203(3) 0.8860(6) 0.0781(2) 0.0487(14) Uani 1 1 d U
H65 H 0.2993 0.9630 0.0599 0.058 Uiso 1 1 calc R
C66 C 0.3248(2) 0.7696(5) 0.04925(18) 0.0387(11) Uani 1 1 d U
H66 H 0.3079 0.7688 0.0118 0.046 Uiso 1 1 calc R
C67 C 0.3599(3) 0.5298(5) 0.0454(2) 0.0472(13) Uani 1 1 d U
H67A H 0.3264 0.5272 0.0120 0.071 Uiso 1 1 calc R
H67B H 0.3571 0.4504 0.0667 0.071 Uiso 1 1 calc R
H67C H 0.4001 0.5299 0.0379 0.071 Uiso 1 1 calc R
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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_3
Cl3 Ga01 Fe1 125.63(3) .
Cl3 Ga01 Cl2 100.22(3) .
Fe1 Ga01 Cl2 122.30(2) .
Cl3 Ga01 Cl4 98.53(3) .
Fe1 Ga01 Cl4 115.65(2) .
Cl2 Ga01 Cl4 85.47(3) .
C22 Fe1 C23 97.93(17) .
C22 Fe1 C21 96.06(17) .
C23 Fe1 C21 165.58(17) .
C22 Fe1 B1S 87.24(16) .
C23 Fe1 B1S 86.49(16) .
C21 Fe1 B1S 90.71(16) .
C22 Fe1 P1 90.45(12) .
C23 Fe1 P1 89.65(12) .
C21 Fe1 P1 93.73(11) .
B1S Fe1 P1 175.19(12) .
C22 Fe1 Ga01 175.62(12) .
C23 Fe1 Ga01 82.44(12) .
C21 Fe1 Ga01 83.35(12) .
B1S Fe1 Ga01 88.42(12) .
P1 Fe1 Ga01 93.92(3) .
C11 P1 C12 104.2(2) .
C11 P1 C13 102.21(19) .
C12 P1 C13 103.3(2) .
C11 P1 Fe1 115.65(13) .
C12 P1 Fe1 115.86(15) .
C13 P1 Fe1 113.88(15) .
C31 B1S Cl1 113.3(3) .
C31 B1S Fe1 125.9(3) .
Cl1 B1S Fe1 120.6(2) .
Ga01 Cl2 Ga01 95.98(5) 2_655
Ga01 Cl4 Ga01 93.08(4) 2_655
P1 C11 H11A 109.5 .
P1 C11 H11B 109.5 .
H11A C11 H11B 109.5 .
P1 C11 H11C 109.5 .
H11A C11 H11C 109.5 .
H11B C11 H11C 109.5 .
P1 C12 H12A 109.5 .
P1 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
P1 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
P1 C13 H13A 109.5 .
P1 C13 H13B 109.5 .
H13A C13 H13B 109.5 .
P1 C13 H13C 109.5 .
H13A C13 H13C 109.5 .
H13B C13 H13C 109.5 .
O21 C21 Fe1 176.9(3) .
O22 C22 Fe1 178.7(3) .
O23 C23 Fe1 179.2(4) .
C32 C31 C36 120.3(3) .
C32 C31 B1S 118.5(3) .
C36 C31 B1S 121.2(3) .
C33 C32 C31 119.9(3) .
C33 C32 C37 119.1(4) .
C31 C32 C37 121.0(3) .
C34 C33 C32 118.9(4) .
C34 C33 C38 119.7(3) .
C32 C33 C38 121.4(4) .
C35 C34 C33 122.3(3) .
C35 C34 H34 118.9 .
C33 C34 H34 118.9 .
C34 C35 C36 119.1(3) .
C34 C35 C39 119.9(3) .
C36 C35 C39 121.0(4) .
C35 C36 C31 119.6(4) .
C35 C36 C40 119.1(3) .
C31 C36 C40 121.3(3) .
C32 C37 H37A 109.5 .
C32 C37 H37B 109.5 .
H37A C37 H37B 109.5 .
C32 C37 H37C 109.5 .
H37A C37 H37C 109.5 .
H37B C37 H37C 109.5 .
C33 C38 H38A 109.5 .
C33 C38 H38B 109.5 .
H38A C38 H38B 109.5 .
C33 C38 H38C 109.5 .
H38A C38 H38C 109.5 .
H38B C38 H38C 109.5 .
C35 C39 H39A 109.5 .
C35 C39 H39B 109.5 .
H39A C39 H39B 109.5 .
C35 C39 H39C 109.5 .
H39A C39 H39C 109.5 .
H39B C39 H39C 109.5 .
C36 C40 H40A 109.5 .
C36 C40 H40B 109.5 .
H40A C40 H40B 109.5 .
C36 C40 H40C 109.5 .
H40A C40 H40C 109.5 .
H40B C40 H40C 109.5 .
C66 C61 C62 118.2(4) .
C66 C61 C67 121.0(4) .
C62 C61 C67 120.8(5) .
C63 C62 C61 121.1(5) .
C63 C62 H62 119.4 .
C61 C62 H62 119.4 .
C62 C63 C64 120.6(4) .
C62 C63 H63 119.7 .
C64 C63 H63 119.7 .
C65 C64 C63 118.8(5) .
C65 C64 H64 120.6 .
C63 C64 H64 120.6 .
C64 C65 C66 121.3(5) .
C64 C65 H65 119.4 .
C66 C65 H65 119.4 .
C61 C66 C65 119.9(4) .
C61 C66 H66 120.0 .
C65 C66 H66 120.0 .
C61 C67 H67A 109.5 .
C61 C67 H67B 109.5 .
H67A C67 H67B 109.5 .
C61 C67 H67C 109.5 .
H67A C67 H67C 109.5 .
H67B C67 H67C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ga01 Cl3 2.1995(9) .
Ga01 Fe1 2.3586(7) .
Ga01 Cl2 2.3725(9) .
Ga01 Cl4 2.4288(9) .
Fe1 C22 1.782(4) .
Fe1 C23 1.789(4) .
Fe1 C21 1.793(4) .
Fe1 B1S 2.058(4) .
Fe1 P1 2.2756(11) .
Cl1 B1S 1.805(4) .
P1 C11 1.779(4) .
P1 C12 1.809(4) .
P1 C13 1.816(4) .
B1S C31 1.565(5) .
Cl2 Ga01 2.3725(9) 2_655
Cl4 Ga01 2.4288(9) 2_655
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
O21 C21 1.134(4) .
O22 C22 1.144(5) .
O23 C23 1.136(4) .
C31 C32 1.403(5) .
C31 C36 1.409(5) .
C32 C33 1.403(5) .
C32 C37 1.507(5) .
C33 C34 1.391(5) .
C33 C38 1.502(6) .
C34 C35 1.387(6) .
C34 H34 0.9500 .
C35 C36 1.405(5) .
C35 C39 1.510(5) .
C36 C40 1.501(5) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C61 C66 1.385(7) .
C61 C62 1.387(6) .
C61 C67 1.501(7) .
C62 C63 1.377(6) .
C62 H62 0.9500 .
C63 C64 1.385(7) .
C63 H63 0.9500 .
C64 C65 1.358(7) .
C64 H64 0.9500 .
C65 C66 1.402(7) .
C65 H65 0.9500 .
C66 H66 0.9500 .
C67 H67A 0.9800 .
C67 H67B 0.9800 .
C67 H67C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
Cl3 Ga01 Fe1 C23 7.57(12) .
Cl2 Ga01 Fe1 C23 -127.77(12) .
Cl4 Ga01 Fe1 C23 130.70(12) .
Cl3 Ga01 Fe1 C21 -174.86(12) .
Cl2 Ga01 Fe1 C21 49.79(11) .
Cl4 Ga01 Fe1 C21 -51.73(11) .
Cl3 Ga01 Fe1 B1S 94.24(12) .
Cl2 Ga01 Fe1 B1S -41.11(12) .
Cl4 Ga01 Fe1 B1S -142.63(12) .
Cl3 Ga01 Fe1 P1 -81.55(5) .
Cl2 Ga01 Fe1 P1 143.10(4) .
Cl4 Ga01 Fe1 P1 41.58(4) .
C22 Fe1 P1 C11 -144.5(2) .
C23 Fe1 P1 C11 -46.5(2) .
C21 Fe1 P1 C11 119.4(2) .
Ga01 Fe1 P1 C11 35.86(17) .
C22 Fe1 P1 C12 93.2(2) .
C23 Fe1 P1 C12 -168.9(2) .
C21 Fe1 P1 C12 -2.9(2) .
Ga01 Fe1 P1 C12 -86.5(2) .
C22 Fe1 P1 C13 -26.5(2) .
C23 Fe1 P1 C13 71.5(2) .
C21 Fe1 P1 C13 -122.6(2) .
Ga01 Fe1 P1 C13 153.85(17) .
C22 Fe1 B1S C31 -29.7(3) .
C23 Fe1 B1S C31 -127.8(3) .
C21 Fe1 B1S C31 66.4(3) .
Ga01 Fe1 B1S C31 149.7(3) .
C22 Fe1 B1S Cl1 144.8(3) .
C23 Fe1 B1S Cl1 46.7(3) .
C21 Fe1 B1S Cl1 -119.1(3) .
Ga01 Fe1 B1S Cl1 -35.8(2) .
Cl3 Ga01 Cl2 Ga01 97.87(3) 2_655
Fe1 Ga01 Cl2 Ga01 -117.62(3) 2_655
Cl4 Ga01 Cl2 Ga01 0.0 2_655
Cl3 Ga01 Cl4 Ga01 -99.68(3) 2_655
Fe1 Ga01 Cl4 Ga01 123.81(3) 2_655
Cl2 Ga01 Cl4 Ga01 0.0 2_655
Cl1 B1S C31 C32 -86.0(4) .
Fe1 B1S C31 C32 88.8(4) .
Cl1 B1S C31 C36 92.0(4) .
Fe1 B1S C31 C36 -93.1(4) .
C36 C31 C32 C33 1.2(5) .
B1S C31 C32 C33 179.3(3) .
C36 C31 C32 C37 -176.8(3) .
B1S C31 C32 C37 1.2(5) .
C31 C32 C33 C34 -0.2(5) .
C37 C32 C33 C34 177.9(3) .
C31 C32 C33 C38 -178.5(3) .
C37 C32 C33 C38 -0.4(5) .
C32 C33 C34 C35 -0.3(5) .
C38 C33 C34 C35 178.0(4) .
C33 C34 C35 C36 -0.1(5) .
C33 C34 C35 C39 -178.2(3) .
C34 C35 C36 C31 1.2(5) .
C39 C35 C36 C31 179.2(3) .
C34 C35 C36 C40 -176.7(3) .
C39 C35 C36 C40 1.3(5) .
C32 C31 C36 C35 -1.7(5) .
B1S C31 C36 C35 -179.7(3) .
C32 C31 C36 C40 176.1(3) .
B1S C31 C36 C40 -1.9(5) .
C66 C61 C62 C63 -1.5(7) .
C67 C61 C62 C63 177.5(5) .
C61 C62 C63 C64 2.5(8) .
C62 C63 C64 C65 -1.3(8) .
C63 C64 C65 C66 -0.8(8) .
C62 C61 C66 C65 -0.5(7) .
C67 C61 C66 C65 -179.5(5) .
C64 C65 C66 C61 1.6(8) .
