#------------------------------------------------------------------------------
#$Date: 2020-08-06 15:49:46 +0300 (Thu, 06 Aug 2020) $
#$Revision: 254871 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/66/7126689.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_7126689
loop_
_publ_author_name
'Blundell, Toby J.'
'Taylor, Laurence J.'
'Valentine, Andrew J.'
'Lewis, William'
'Blake, Alexander J.'
'McMaster, Jonathan'
'Kays, Deborah L.'
_publ_section_title
;
 A transition metal-gallium cluster formed via insertion of
 "GaI".
;
_journal_issue                   58
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8139
_journal_page_last               8142
_journal_paper_doi               10.1039/d0cc03559a
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C28 H33 Co Ga3 I5, C4 H8 Ga I3 O'
_chemical_formula_sum            'C32 H41 Co Ga4 I8 O'
_chemical_formula_weight         1794.66
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-06-17
_audit_creation_method
;
Olex2 1.2
(compiled 2014.05.21 svn.r2940 for OlexSys, GUI svn.r4846)
;
_audit_update_record
;
2020-05-18 deposited with the CCDC.	2020-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.025(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.1625(9)
_cell_length_b                   13.8708(6)
_cell_length_c                   17.0402(8)
_cell_measurement_reflns_used    5774
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      74.8352
_cell_measurement_theta_min      3.7692
_cell_volume                     4677.7(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 10.3613
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega -111.00  -28.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -43.6627  -57.0000   30.0000 83

#__ type_ start__ end____ width___ exp.time_
  2 omega   54.00   89.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       43.6627 -125.0000   30.0000 35

#__ type_ start__ end____ width___ exp.time_
  3 omega   -4.00   62.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       43.6627  -38.0000 -150.0000 66

#__ type_ start__ end____ width___ exp.time_
  4 omega -103.00  -40.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      -60.0000  -30.0000  120.0000 63

#__ type_ start__ end____ width___ exp.time_
  5 omega   33.00   68.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -30.0000 -150.0000 35

#__ type_ start__ end____ width___ exp.time_
  6 omega   33.00   61.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -30.0000  150.0000 28

#__ type_ start__ end____ width___ exp.time_
  7 omega   42.00   98.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -95.0000  -60.0000 56

#__ type_ start__ end____ width___ exp.time_
  8 omega   39.00   88.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -95.0000   90.0000 49

#__ type_ start__ end____ width___ exp.time_
  9 omega   33.00   60.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -30.0000 -120.0000 27

#__ type_ start__ end____ width___ exp.time_
 10 omega   41.00   68.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -30.0000  120.0000 27

#__ type_ start__ end____ width___ exp.time_
 11 omega   32.00   71.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -24.0000   16.0000 39

#__ type_ start__ end____ width___ exp.time_
 12 omega   46.00   77.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -45.0000  -30.0000 31

#__ type_ start__ end____ width___ exp.time_
 13 omega   36.00  112.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472 -125.0000 -180.0000 76

#__ type_ start__ end____ width___ exp.time_
 14 omega   39.00   65.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -30.0000 -180.0000 26

#__ type_ start__ end____ width___ exp.time_
 15 omega   88.00  149.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472   45.0000  -30.0000 61

#__ type_ start__ end____ width___ exp.time_
 16 omega   39.00   66.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -30.0000  -60.0000 27

#__ type_ start__ end____ width___ exp.time_
 17 omega   38.00   65.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -45.0000 -180.0000 27

#__ type_ start__ end____ width___ exp.time_
 18 omega   42.00   74.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -45.0000    0.0000 32

#__ type_ start__ end____ width___ exp.time_
 19 omega  -69.00   25.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -43.6627   57.0000 -180.0000 94

#__ type_ start__ end____ width___ exp.time_
 20 omega  -69.00   16.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -43.6627   57.0000   30.0000 85

#__ type_ start__ end____ width___ exp.time_
 21 omega -112.00  -19.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -43.6627  -57.0000 -120.0000 93
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0084729000
_diffrn_orient_matrix_UB_12      0.0052837000
_diffrn_orient_matrix_UB_13      -0.0746524000
_diffrn_orient_matrix_UB_21      -0.0874798000
_diffrn_orient_matrix_UB_22      0.0338635000
_diffrn_orient_matrix_UB_23      -0.0197583000
_diffrn_orient_matrix_UB_31      0.0276651000
_diffrn_orient_matrix_UB_32      0.1055622000
_diffrn_orient_matrix_UB_33      0.0100638000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.1043
_diffrn_reflns_av_unetI/netI     0.0930
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27808
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.011
_diffrn_reflns_theta_min         3.892
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    46.944
_exptl_absorpt_correction_T_max  0.329
_exptl_absorpt_correction_T_min  0.091
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
;
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.548
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3264
_exptl_crystal_size_max          0.121
_exptl_crystal_size_mid          0.0635
_exptl_crystal_size_min          0.0434
_refine_diff_density_max         2.799
_refine_diff_density_min         -2.478
_refine_diff_density_rms         0.379
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         9227
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.1301
_refine_ls_R_factor_gt           0.0922
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1530P)²+10.1289P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2288
_refine_ls_wR_factor_ref         0.2667
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5988
_reflns_number_total             9227
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc03559a2.cif
_cod_data_source_block           gatbla
_cod_depositor_comments
'Adding full bibliography for 7126685--7126689.cif.'
_cod_database_code               7126689
_nottingham_internal_coll_name   GATBLA
_nottingham_internal_coll_type   custom
_nottingham_internal_coll_frame_method 'omega scans'
_nottingham_internal_coll_frame_time '20.0000, 80.0000'
_nottingham_internal_coll_frame_width 1.0000
_nottingham_internal_coll_user   pcxtb
_nottingham_internal_coll_date   16/05/2014
_nottingham_internal_coll_location NOTTS
_nottingham_internal_process_date 11/12/2012
_nottingham_internal_process_user pcxtb
_nottingham_internal_solution_date 19/05/2014
_nottingham_internal_solution_user pcxtb
_nottingham_internal_refinement_date 19/05/2014
_nottingham_internal_refinement_user pcxtb
_nottingham_internal_validation_date 24/6/2014
_nottingham_internal_validation_user pczwl
_nottingham_internal_archive_date 24/6/2014
_shelxl_version_number           2014-3
_chemical_oxdiff_formula         'C32 H41 Ga4 I8 Co O'
_chemical_oxdiff_usercomment
'GATBLA #12111 MOUNTED IN FOMBLIN ON A MICROMOUNT FOR TB/DLK'
_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.
;
_reflns_odcompleteness_completeness 99.36
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     67.13
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5)
2.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C17(H17A,H17B,H17C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C26(H26A,
 H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C)
;
_olex2_exptl_crystal_mounting_method 'mounted in fomblin film on micromount'
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I 0.76155(6) 0.76605(8) 0.37647(7) 0.0472(3) Uani 1 1 d . . . . .
I2 I 0.59631(6) 0.58334(9) 0.33529(7) 0.0488(3) Uani 1 1 d . . . . .
I3 I 0.56403(7) 0.87456(10) 0.29218(8) 0.0554(3) Uani 1 1 d . . . . .
I4 I 0.70421(7) 1.05242(8) 0.42581(9) 0.0551(3) Uani 1 1 d . . . . .
I5 I 0.41918(6) 0.70872(13) 0.37095(9) 0.0677(4) Uani 1 1 d . . . . .
Ga1 Ga 0.68225(10) 0.66825(14) 0.45634(12) 0.0362(4) Uani 1 1 d . . . . .
Ga2 Ga 0.54410(11) 0.74753(17) 0.40516(13) 0.0446(5) Uani 1 1 d . . . . .
Ga3 Ga 0.65938(11) 0.88210(15) 0.43273(13) 0.0413(5) Uani 1 1 d . . . . .
Co1 Co 0.62112(13) 0.78105(18) 0.51956(16) 0.0347(6) Uani 1 1 d . . . . .
C1 C 0.7172(8) 0.5731(12) 0.5394(9) 0.035(3) Uani 1 1 d . . . . .
C2 C 0.7554(9) 0.4873(13) 0.5363(11) 0.044(4) Uani 1 1 d . . . . .
C3 C 0.7685(11) 0.4286(13) 0.6020(12) 0.049(4) Uani 1 1 d . . . . .
H3 H 0.7933 0.3724 0.6000 0.059 Uiso 1 1 calc R . . . .
C4 C 0.7455(11) 0.4511(14) 0.6711(11) 0.050(4) Uani 1 1 d . . . . .
H4 H 0.7545 0.4098 0.7148 0.060 Uiso 1 1 calc R . . . .
C5 C 0.7090(9) 0.5352(13) 0.6755(11) 0.043(4) Uani 1 1 d . . . . .
H5 H 0.6942 0.5505 0.7224 0.052 Uiso 1 1 calc R . . . .
C6 C 0.6946(8) 0.5961(13) 0.6103(11) 0.042(4) Uani 1 1 d . . . . .
C7 C 0.7810(9) 0.4658(12) 0.4593(10) 0.039(4) Uani 1 1 d . . . . .
C8 C 0.8401(9) 0.5082(11) 0.4466(12) 0.046(4) Uani 1 1 d . . . . .
C9 C 0.8622(10) 0.4934(15) 0.3758(16) 0.063(7) Uani 1 1 d . . . . .
C10 C 0.8259(12) 0.4291(16) 0.3204(14) 0.060(5) Uani 1 1 d . . . . .
C11 C 0.7675(9) 0.3803(13) 0.3334(11) 0.045(4) Uani 1 1 d . . . . .
C12 C 0.7470(9) 0.4005(11) 0.4050(13) 0.048(5) Uani 1 1 d . . . . .
C13 C 0.8800(10) 0.5733(14) 0.5106(15) 0.058(5) Uani 1 1 d . . . . .
H13A H 0.8769 0.6388 0.4921 0.087 Uiso 1 1 calc GR . . . .
H13B H 0.9265 0.5536 0.5216 0.087 Uiso 1 1 calc GR . . . .
H13C H 0.8617 0.5686 0.5586 0.087 Uiso 1 1 calc GR . . . .
C14 C 0.9250(13) 0.5429(17) 0.3573(16) 0.072(6) Uani 1 1 d . . . . .
H14A H 0.9137 0.6072 0.3386 0.107 Uiso 1 1 calc GR . . . .
H14B H 0.9416 0.5072 0.3168 0.107 Uiso 1 1 calc GR . . . .
H14C H 0.9593 0.5454 0.4049 0.107 Uiso 1 1 calc GR . . . .
C15 C 0.8511(14) 0.408(2) 0.2395(16) 0.078(8) Uani 1 1 d . . . . .
H15A H 0.8893 0.3659 0.2498 0.117 Uiso 1 1 calc GR . . . .
H15B H 0.8639 0.4680 0.2179 0.117 Uiso 1 1 calc GR . . . .
H15C H 0.8153 0.3789 0.2019 0.117 Uiso 1 1 calc GR . . . .
C16 C 0.7308(15) 0.3070(16) 0.2737(15) 0.072(7) Uani 1 1 d . . . . .
H16A H 0.7195 0.2513 0.3019 0.108 Uiso 1 1 calc GR . . . .
H16B H 0.7595 0.2882 0.2375 0.108 Uiso 1 1 calc GR . . . .
H16C H 0.6902 0.3354 0.2441 0.108 Uiso 1 1 calc GR . . . .
C17 C 0.6829(10) 0.3518(13) 0.4201(13) 0.053(5) Uani 1 1 d . . . . .
H17A H 0.6933 0.2875 0.4396 0.079 Uiso 1 1 calc GR . . . .
H17B H 0.6502 0.3491 0.3711 0.079 Uiso 1 1 calc GR . . . .
H17C H 0.6647 0.3880 0.4592 0.079 Uiso 1 1 calc GR . . . .
C18 C 0.6564(8) 0.6858(12) 0.6119(9) 0.035(3) Uani 1 1 d . . . . .
C19 C 0.5855(8) 0.6857(12) 0.5961(10) 0.035(3) Uani 1 1 d . . . . .
C20 C 0.5494(9) 0.7766(13) 0.5977(10) 0.041(4) Uani 1 1 d . . . . .
C21 C 0.5853(9) 0.8636(13) 0.6092(10) 0.042(4) Uani 1 1 d . . . . .
C22 C 0.6577(10) 0.8617(13) 0.6253(10) 0.043(4) Uani 1 1 d . . . . .
C23 C 0.6940(9) 0.7750(13) 0.6306(10) 0.042(4) Uani 1 1 d . . . . .
C24 C 0.5468(10) 0.5949(15) 0.5760(12) 0.051(4) Uani 1 1 d . . . . .
H24A H 0.5084 0.6071 0.5345 0.076 Uiso 1 1 calc GR . . . .
H24B H 0.5318 0.5713 0.6227 0.076 Uiso 1 1 calc GR . . . .
H24C H 0.5753 0.5475 0.5581 0.076 Uiso 1 1 calc GR . . . .
C25 C 0.4753(11) 0.7775(15) 0.5940(15) 0.060(6) Uani 1 1 d . . . . .
H25A H 0.4526 0.7918 0.5405 0.090 Uiso 1 1 calc GR . . . .
H25B H 0.4642 0.8258 0.6298 0.090 Uiso 1 1 calc GR . . . .
H25C H 0.4610 0.7155 0.6095 0.090 Uiso 1 1 calc GR . . . .
C26 C 0.5467(13) 0.9596(18) 0.6072(14) 0.071(7) Uani 1 1 d . . . . .
H26A H 0.5644 1.0047 0.5737 0.107 Uiso 1 1 calc GR . . . .
H26B H 0.5521 0.9852 0.6603 0.107 Uiso 1 1 calc GR . . . .
H26C H 0.4996 0.9489 0.5862 0.107 Uiso 1 1 calc GR . . . .
C27 C 0.6991(11) 0.9553(15) 0.6439(12) 0.053(5) Uani 1 1 d . . . . .
H27A H 0.7254 0.9660 0.6033 0.079 Uiso 1 1 calc GR . . . .
H27B H 0.7287 0.9495 0.6950 0.079 Uiso 1 1 calc GR . . . .
H27C H 0.6689 1.0087 0.6449 0.079 Uiso 1 1 calc GR . . . .
C28 C 0.7699(9) 0.7738(13) 0.6490(11) 0.042(4) Uani 1 1 d . . . . .
H28A H 0.7855 0.7083 0.6541 0.063 Uiso 1 1 calc GR . . . .
H28B H 0.7858 0.8076 0.6981 0.063 Uiso 1 1 calc GR . . . .
H28C H 0.7868 0.8047 0.6064 0.063 Uiso 1 1 calc GR . . . .
I6 I 0.96959(7) 0.72861(10) 0.69855(9) 0.0624(4) Uani 1 1 d . . . . .
I7 I 0.89263(7) 0.95083(10) 0.54173(10) 0.0633(4) Uani 1 1 d . . . . .
I8 I 1.07708(8) 0.98786(13) 0.70881(11) 0.0777(5) Uani 1 1 d . . . . .
Ga4 Ga 0.99446(12) 0.87711(17) 0.62594(16) 0.0502(6) Uani 1 1 d . . . . .
O1 O 1.0444(7) 0.8292(10) 0.5458(8) 0.056(3) Uani 1 1 d . . . . .
C29 C 1.1157(10) 0.8036(17) 0.5632(14) 0.064(6) Uani 1 1 d . . . . .
H29A H 1.1243 0.7546 0.6045 0.077 Uiso 1 1 calc R . . . .
H29B H 1.1431 0.8597 0.5812 0.077 Uiso 1 1 calc R . . . .
C30 C 1.1313(13) 0.7662(17) 0.4867(17) 0.072(7) Uani 1 1 d . . . . .
H30A H 1.1688 0.7211 0.4961 0.086 Uiso 1 1 calc R . . . .
H30B H 1.1414 0.8181 0.4526 0.086 Uiso 1 1 calc R . . . .
C31 C 1.0648(16) 0.7162(17) 0.4514(16) 0.075(7) Uani 1 1 d . . . . .
H31A H 1.0604 0.7065 0.3942 0.090 Uiso 1 1 calc R . . . .
H31B H 1.0610 0.6545 0.4769 0.090 Uiso 1 1 calc R . . . .
C32 C 1.0130(12) 0.7869(18) 0.4697(15) 0.065(6) Uani 1 1 d . . . . .
H32A H 1.0033 0.8359 0.4285 0.078 Uiso 1 1 calc R . . . .
H32B H 0.9713 0.7543 0.4740 0.078 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 0.0181 0.0091 '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'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga -1.2846 0.7763 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1 9 1 0.0235 1.0003 9.0188 1.0148 -0.0196 0.1979 0.9899
0 5 -11 0.0374 0.0144 5.0213 -10.9950 0.8475 0.3860 0.4198
-2 -3 -11 0.0287 -1.9865 -2.9956 -11.0086 0.7892 0.2899 -0.4820
1 -2 12 0.0049 0.9846 -2.0160 12.0005 -0.8982 -0.3915 -0.0648
7 -7 -2 0.0309 6.9983 -7.0175 -2.0064 0.1720 -0.8102 -0.5674
-11 -1 1 0.0390 -10.9972 -0.9975 0.9911 -0.1724 0.9087 -0.3996
1 -9 -1 0.0317 0.9989 -9.0198 -1.0134 0.0365 -0.3728 -0.9347
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
Ga1 I1 Ga3 65.30(6) . . ?
Ga1 I2 Ga2 64.41(6) . . ?
Ga2 I3 Ga3 65.23(7) . . ?
I1 Ga1 I2 101.09(8) . . ?
I1 Ga1 Ga2 106.43(8) . . ?
I1 Ga1 Ga3 61.45(6) . . ?
I2 Ga1 Ga2 60.48(7) . . ?
I2 Ga1 Ga3 105.53(8) . . ?
Ga2 Ga1 Ga3 59.02(7) . . ?
Co1 Ga1 I1 108.12(10) . . ?
Co1 Ga1 I2 108.75(10) . . ?
Co1 Ga1 Ga2 49.40(8) . . ?
Co1 Ga1 Ga3 48.17(8) . . ?
C1 Ga1 I1 122.9(4) . . ?
C1 Ga1 I2 110.3(5) . . ?
C1 Ga1 Ga2 130.4(4) . . ?
C1 Ga1 Ga3 141.4(5) . . ?
C1 Ga1 Co1 105.2(5) . . ?
I2 Ga2 Ga1 55.11(6) . . ?
I2 Ga2 Ga3 103.22(8) . . ?
I3 Ga2 I2 96.09(8) . . ?
I3 Ga2 Ga1 101.10(8) . . ?
I3 Ga2 Ga3 58.62(7) . . ?
I5 Ga2 I2 99.43(9) . . ?
I5 Ga2 I3 104.60(9) . . ?
I5 Ga2 Ga1 145.65(11) . . ?
I5 Ga2 Ga3 152.94(11) . . ?
Ga3 Ga2 Ga1 61.34(7) . . ?
Co1 Ga2 I2 105.76(10) . . ?
Co1 Ga2 I3 107.76(11) . . ?
Co1 Ga2 I5 136.06(12) . . ?
Co1 Ga2 Ga1 51.74(9) . . ?
Co1 Ga2 Ga3 49.59(9) . . ?
I1 Ga3 Ga1 53.25(6) . . ?
I1 Ga3 Ga2 100.55(8) . . ?
I3 Ga3 I1 96.43(7) . . ?
I3 Ga3 Ga1 98.12(8) . . ?
I3 Ga3 Ga2 56.15(7) . . ?
I4 Ga3 I1 102.59(8) . . ?
I4 Ga3 I3 100.90(8) . . ?
I4 Ga3 Ga1 150.91(10) . . ?
I4 Ga3 Ga2 149.12(10) . . ?
Ga2 Ga3 Ga1 59.63(7) . . ?
Co1 Ga3 I1 102.84(10) . . ?
Co1 Ga3 I3 105.85(11) . . ?
Co1 Ga3 I4 140.38(12) . . ?
Co1 Ga3 Ga1 50.97(8) . . ?
Co1 Ga3 Ga2 50.14(9) . . ?
Ga2 Co1 Ga1 78.86(11) . . ?
Ga3 Co1 Ga1 80.85(11) . . ?
Ga3 Co1 Ga2 80.28(12) . . ?
C18 Co1 Ga1 78.0(5) . . ?
C18 Co1 Ga2 126.4(5) . . ?
C18 Co1 Ga3 140.8(4) . . ?
C18 Co1 C19 39.5(6) . . ?
C18 Co1 C20 71.7(6) . . ?
C18 Co1 C21 85.0(7) . . ?
C18 Co1 C22 71.3(7) . . ?
C18 Co1 C23 40.1(7) . . ?
C19 Co1 Ga1 97.9(5) . . ?
C19 Co1 Ga2 98.3(5) . . ?
C19 Co1 Ga3 178.3(5) . . ?
C19 Co1 C20 40.4(7) . . ?
C19 Co1 C21 71.9(7) . . ?
C19 Co1 C22 84.8(7) . . ?
C19 Co1 C23 71.7(6) . . ?
C20 Co1 Ga1 137.1(5) . . ?
C20 Co1 Ga2 95.4(5) . . ?
C20 Co1 Ga3 140.6(5) . . ?
C20 Co1 C23 83.2(7) . . ?
C21 Co1 Ga1 162.0(5) . . ?
C21 Co1 Ga2 116.6(5) . . ?
C21 Co1 Ga3 109.7(5) . . ?
C21 Co1 C20 38.1(7) . . ?
C21 Co1 C23 70.3(7) . . ?
C22 Co1 Ga1 127.2(6) . . ?
C22 Co1 Ga2 153.3(5) . . ?
C22 Co1 Ga3 96.9(5) . . ?
C22 Co1 C20 69.9(7) . . ?
C22 Co1 C21 39.2(7) . . ?
C22 Co1 C23 38.1(7) . . ?
C23 Co1 Ga1 92.7(5) . . ?
C23 Co1 Ga2 166.1(5) . . ?
C23 Co1 Ga3 109.5(5) . . ?
C2 C1 Ga1 131.1(12) . . ?
C6 C1 Ga1 109.6(12) . . ?
C6 C1 C2 119.2(15) . . ?
C1 C2 C7 117.9(16) . . ?
C3 C2 C1 119.2(16) . . ?
C3 C2 C7 122.9(16) . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.3(18) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.2(17) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.1(17) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C18 117.8(15) . . ?
C5 C6 C1 120.0(17) . . ?
C5 C6 C18 122.3(16) . . ?
C8 C7 C2 119.6(17) . . ?
C12 C7 C2 119.9(16) . . ?
C12 C7 C8 120.4(16) . . ?
C7 C8 C13 119.5(18) . . ?
C9 C8 C7 120.4(18) . . ?
C9 C8 C13 120.0(19) . . ?
C8 C9 C10 118.0(19) . . ?
C8 C9 C14 122(2) . . ?
C10 C9 C14 120(2) . . ?
C9 C10 C11 123.0(19) . . ?
C9 C10 C15 119(2) . . ?
C11 C10 C15 118(2) . . ?
C10 C11 C16 121.9(19) . . ?
C12 C11 C10 116.0(17) . . ?
C12 C11 C16 122.1(18) . . ?
C7 C12 C11 121.9(16) . . ?
C7 C12 C17 120.4(18) . . ?
C11 C12 C17 117.7(17) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C6 C18 Co1 129.2(12) . . ?
C19 C18 Co1 70.4(9) . . ?
C19 C18 C6 121.0(15) . . ?
C19 C18 C23 120.8(15) . . ?
C23 C18 Co1 73.3(9) . . ?
C23 C18 C6 118.2(14) . . ?
C18 C19 Co1 70.0(9) . . ?
C18 C19 C20 119.3(15) . . ?
C18 C19 C24 121.0(16) . . ?
C20 C19 Co1 72.3(10) . . ?
C20 C19 C24 119.7(15) . . ?
C24 C19 Co1 128.6(13) . . ?
C19 C20 Co1 67.4(9) . . ?
C19 C20 C25 120.5(16) . . ?
C21 C20 Co1 70.8(10) . . ?
C21 C20 C19 120.1(15) . . ?
C21 C20 C25 119.2(16) . . ?
C25 C20 Co1 140.0(15) . . ?
C20 C21 Co1 71.1(10) . . ?
C20 C21 C22 119.4(16) . . ?
C20 C21 C26 119.8(18) . . ?
C22 C21 Co1 69.9(9) . . ?
C22 C21 C26 120.8(19) . . ?
C26 C21 Co1 133.2(13) . . ?
C21 C22 Co1 70.9(9) . . ?
C21 C22 C27 120.9(17) . . ?
C23 C22 Co1 72.3(10) . . ?
C23 C22 C21 121.9(16) . . ?
C23 C22 C27 117.0(16) . . ?
C27 C22 Co1 134.6(13) . . ?
C18 C23 Co1 66.6(9) . . ?
C18 C23 C28 120.2(16) . . ?
C22 C23 Co1 69.6(9) . . ?
C22 C23 C18 118.2(15) . . ?
C22 C23 C28 121.4(16) . . ?
C28 C23 Co1 132.6(13) . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
I7 Ga4 I6 113.71(10) . . ?
I7 Ga4 I8 117.46(11) . . ?
I8 Ga4 I6 113.70(12) . . ?
O1 Ga4 I6 104.1(4) . . ?
O1 Ga4 I7 102.4(4) . . ?
O1 Ga4 I8 103.1(5) . . ?
C29 O1 Ga4 124.1(13) . . ?
C32 O1 Ga4 124.3(12) . . ?
C32 O1 C29 109.2(15) . . ?
O1 C29 H29A 110.6 . . ?
O1 C29 H29B 110.6 . . ?
O1 C29 C30 105.9(18) . . ?
H29A C29 H29B 108.7 . . ?
C30 C29 H29A 110.6 . . ?
C30 C29 H29B 110.6 . . ?
C29 C30 H30A 111.6 . . ?
C29 C30 H30B 111.6 . . ?
C29 C30 C31 100.7(19) . . ?
H30A C30 H30B 109.4 . . ?
C31 C30 H30A 111.6 . . ?
C31 C30 H30B 111.6 . . ?
C30 C31 H31A 111.3 . . ?
C30 C31 H31B 111.3 . . ?
H31A C31 H31B 109.2 . . ?
C32 C31 C30 102.3(17) . . ?
C32 C31 H31A 111.3 . . ?
C32 C31 H31B 111.3 . . ?
O1 C32 C31 104.2(19) . . ?
O1 C32 H32A 110.9 . . ?
O1 C32 H32B 110.9 . . ?
C31 C32 H32A 110.9 . . ?
C31 C32 H32B 110.9 . . ?
H32A C32 H32B 108.9 . . ?
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
I1 Ga1 2.661(2) . ?
I1 Ga3 2.917(2) . ?
I2 Ga1 2.698(2) . ?
I2 Ga2 2.862(3) . ?
I3 Ga2 2.696(3) . ?
I3 Ga3 2.772(3) . ?
I4 Ga3 2.540(2) . ?
I5 Ga2 2.532(3) . ?
Ga1 Ga2 2.966(3) . ?
Ga1 Ga3 3.017(3) . ?
Ga1 Co1 2.374(3) . ?
Ga1 C1 1.964(17) . ?
Ga2 Ga3 2.948(3) . ?
Ga2 Co1 2.296(3) . ?
Ga3 Co1 2.277(3) . ?
Co1 C18 2.074(15) . ?
Co1 C19 2.080(16) . ?
Co1 C20 2.146(18) . ?
Co1 C21 2.143(16) . ?
Co1 C22 2.129(16) . ?
Co1 C23 2.165(16) . ?
C1 C2 1.42(2) . ?
C1 C6 1.41(2) . ?
C2 C3 1.37(3) . ?
C2 C7 1.53(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.38(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.39(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.38(3) . ?
C6 C18 1.47(2) . ?
C7 C8 1.38(3) . ?
C7 C12 1.38(3) . ?
C8 C9 1.38(3) . ?
C8 C13 1.52(3) . ?
C9 C10 1.40(4) . ?
C9 C14 1.53(3) . ?
C10 C11 1.41(3) . ?
C10 C15 1.58(3) . ?
C11 C12 1.39(3) . ?
C11 C16 1.53(3) . ?
C12 C17 1.52(2) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.40(2) . ?
C18 C23 1.45(2) . ?
C19 C20 1.46(2) . ?
C19 C24 1.49(2) . ?
C20 C21 1.40(3) . ?
C20 C25 1.48(3) . ?
C21 C22 1.43(3) . ?
C21 C26 1.54(3) . ?
C22 C23 1.40(3) . ?
C22 C27 1.54(2) . ?
C23 C28 1.50(2) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
I6 Ga4 2.502(3) . ?
I7 Ga4 2.489(3) . ?
I8 Ga4 2.496(3) . ?
Ga4 O1 1.961(14) . ?
O1 C29 1.45(2) . ?
O1 C32 1.45(3) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.49(3) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C31 1.53(4) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C32 1.51(4) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ga1 C1 C2 C3 -174.3(14) . . . . ?
Ga1 C1 C2 C7 7(2) . . . . ?
Ga1 C1 C6 C5 175.4(13) . . . . ?
Ga1 C1 C6 C18 -4.9(17) . . . . ?
Co1 C18 C19 C20 -54.9(14) . . . . ?
Co1 C18 C19 C24 123.8(16) . . . . ?
Co1 C18 C23 C22 48.5(14) . . . . ?
Co1 C18 C23 C28 -127.0(16) . . . . ?
Co1 C19 C20 C21 -49.2(15) . . . . ?
Co1 C19 C20 C25 135.9(18) . . . . ?
Co1 C20 C21 C22 -52.4(14) . . . . ?
Co1 C20 C21 C26 129.6(17) . . . . ?
Co1 C21 C22 C23 -53.5(15) . . . . ?
Co1 C21 C22 C27 131.2(16) . . . . ?
Co1 C22 C23 C18 -47.2(14) . . . . ?
Co1 C22 C23 C28 128.2(16) . . . . ?
C1 C2 C3 C4 0(3) . . . . ?
C1 C2 C7 C8 83(2) . . . . ?
C1 C2 C7 C12 -100.4(19) . . . . ?
C1 C6 C18 Co1 7(2) . . . . ?
C1 C6 C18 C19 96.0(19) . . . . ?
C1 C6 C18 C23 -84.1(18) . . . . ?
C2 C1 C6 C5 -1(2) . . . . ?
C2 C1 C6 C18 179.0(15) . . . . ?
C2 C3 C4 C5 -1(3) . . . . ?
C2 C7 C8 C9 -176.9(16) . . . . ?
C2 C7 C8 C13 2(2) . . . . ?
C2 C7 C12 C11 178.5(16) . . . . ?
C2 C7 C12 C17 2(2) . . . . ?
C3 C2 C7 C8 -96(2) . . . . ?
C3 C2 C7 C12 81(2) . . . . ?
C3 C4 C5 C6 1(3) . . . . ?
C4 C5 C6 C1 0(3) . . . . ?
C4 C5 C6 C18 -179.8(17) . . . . ?
C5 C6 C18 Co1 -173.5(13) . . . . ?
C5 C6 C18 C19 -84(2) . . . . ?
C5 C6 C18 C23 95.5(19) . . . . ?
C6 C1 C2 C3 1(2) . . . . ?
C6 C1 C2 C7 -178.2(15) . . . . ?
C6 C18 C19 Co1 -124.6(15) . . . . ?
C6 C18 C19 C20 -179.5(15) . . . . ?
C6 C18 C19 C24 -1(3) . . . . ?
C6 C18 C23 Co1 126.0(14) . . . . ?
C6 C18 C23 C22 174.5(15) . . . . ?
C6 C18 C23 C28 -1(2) . . . . ?
C7 C2 C3 C4 178.9(18) . . . . ?
C7 C8 C9 C10 -5(3) . . . . ?
C7 C8 C9 C14 176.7(18) . . . . ?
C8 C7 C12 C11 -5(3) . . . . ?
C8 C7 C12 C17 178.4(16) . . . . ?
C8 C9 C10 C11 1(3) . . . . ?
C8 C9 C10 C15 -178.4(18) . . . . ?
C9 C10 C11 C12 1(3) . . . . ?
C9 C10 C11 C16 -177(2) . . . . ?
C10 C11 C12 C7 1(3) . . . . ?
C10 C11 C12 C17 178.0(17) . . . . ?
C12 C7 C8 C9 7(2) . . . . ?
C12 C7 C8 C13 -174.7(16) . . . . ?
C13 C8 C9 C10 176.8(18) . . . . ?
C13 C8 C9 C14 -2(3) . . . . ?
C14 C9 C10 C11 179.7(19) . . . . ?
C14 C9 C10 C15 0(3) . . . . ?
C15 C10 C11 C12 -179.9(18) . . . . ?
C15 C10 C11 C16 2(3) . . . . ?
C16 C11 C12 C7 179.1(18) . . . . ?
C16 C11 C12 C17 -4(3) . . . . ?
C18 C19 C20 Co1 53.8(14) . . . . ?
C18 C19 C20 C21 5(2) . . . . ?
C18 C19 C20 C25 -170.3(17) . . . . ?
C19 C18 C23 Co1 -54.2(14) . . . . ?
C19 C18 C23 C22 -6(2) . . . . ?
C19 C18 C23 C28 178.9(16) . . . . ?
C19 C20 C21 Co1 47.7(14) . . . . ?
C19 C20 C21 C22 -5(3) . . . . ?
C19 C20 C21 C26 177.3(16) . . . . ?
C20 C21 C22 Co1 52.9(15) . . . . ?
C20 C21 C22 C23 -1(3) . . . . ?
C20 C21 C22 C27 -175.9(16) . . . . ?
C21 C22 C23 Co1 52.9(15) . . . . ?
C21 C22 C23 C18 6(3) . . . . ?
C21 C22 C23 C28 -178.9(16) . . . . ?
C23 C18 C19 Co1 55.5(14) . . . . ?
C23 C18 C19 C20 1(2) . . . . ?
C23 C18 C19 C24 179.3(16) . . . . ?
C24 C19 C20 Co1 -124.9(16) . . . . ?
C24 C19 C20 C21 -174.1(17) . . . . ?
C24 C19 C20 C25 11(3) . . . . ?
C25 C20 C21 Co1 -137.3(18) . . . . ?
C25 C20 C21 C22 170.3(17) . . . . ?
C25 C20 C21 C26 -8(3) . . . . ?
C26 C21 C22 Co1 -129.0(17) . . . . ?
C26 C21 C22 C23 177.4(17) . . . . ?
C26 C21 C22 C27 2(3) . . . . ?
C27 C22 C23 Co1 -131.6(16) . . . . ?
C27 C22 C23 C18 -178.8(15) . . . . ?
C27 C22 C23 C28 -3(2) . . . . ?
Ga4 O1 C29 C30 177.1(14) . . . . ?
Ga4 O1 C32 C31 -150.1(15) . . . . ?
O1 C29 C30 C31 -34(2) . . . . ?
C29 O1 C32 C31 13(2) . . . . ?
C29 C30 C31 C32 42(3) . . . . ?
C30 C31 C32 O1 -34(3) . . . . ?
C32 O1 C29 C30 14(2) . . . . ?
