#------------------------------------------------------------------------------
#$Date: 2023-10-13 02:07:23 +0300 (Fri, 13 Oct 2023) $
#$Revision: 286945 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/42/7714203.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_7714203
loop_
_publ_author_name
'Duffin, Rebekah N.'
'Andrews, Philip Craig'
_publ_section_title
;
 Structure-activity effects in the anti-leishmanial activity of di-alkyl
 gallium quinolin-8-olates
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT02542J
_journal_year                    2023
_chemical_formula_moiety         '2(C13 H16 Ga N O)'
_chemical_formula_sum            'C26 H32 Ga2 N2 O2'
_chemical_formula_weight         543.97
_chemical_name_systematic        'Diethylgallium 8-hydroxyquinolinolate'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-09-04
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2023-09-04 deposited with the CCDC.	2023-10-03 downloaded from the CCDC.
;
_cell_angle_alpha                91.428(2)
_cell_angle_beta                 103.785(3)
_cell_angle_gamma                101.757(3)
_cell_formula_units_Z            2
_cell_length_a                   9.9300(4)
_cell_length_b                   10.5992(4)
_cell_length_c                   12.2053(3)
_cell_measurement_reflns_used    8119
_cell_measurement_temperature    123.00(10)
_cell_measurement_theta_max      79.3660
_cell_measurement_theta_min      4.6600
_cell_volume                     1217.78(8)
_computing_cell_refinement       'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      123.15
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -87.00 -61.00   0.50    1.00    --  -47.74 -75.00 -62.00   52
  2  ω     36.00 106.00   0.50    1.00    --   47.74  75.00  64.00  140
  3  ω    -24.00  59.00   0.50    1.00    --   47.74 -75.00 -62.00  166
  4  ω   -111.00 -73.00   0.50    4.00    --  -91.75 -75.00 -62.00   76
  5  ω    -67.00 -41.00   0.50    4.00    --  -91.75  75.00  64.00   52
  6  ω   -146.00-117.00   0.50    4.00    --  -91.75 -75.00 -62.00   58
  7  ω     93.00 178.00   0.50    4.00    --  113.25  75.00  64.00  170
  8  ω     55.00  82.00   0.50    4.00    --  113.25 -75.00 -62.00   54
  9  ω    -68.00  22.00   0.50    1.00    --  -47.74  75.00  64.00  180
 10  ω   -117.00 -74.00   0.50    1.00    --  -47.74-125.00   0.00   86
 11  ω   -117.00 -76.00   0.50    1.00    --  -47.74-125.00  90.00   82
 12  ω     37.00  91.00   0.50    1.00    --   47.74-125.00  60.00  108
 13  ω      0.00  36.00   0.50    1.00    --   47.74 -99.00-120.00   72
 14  ω     55.00  81.00   0.50    1.00    --   47.74 -99.00-120.00   52
 15  ω     45.00  91.00   0.50    1.00    --   47.74-125.00 -30.00   92
 16  ω    -67.00 -25.00   0.50    4.00    --  -91.75  45.00 -90.00   84
 17  ω    -68.00 -17.00   0.50    4.00    --  -91.75  30.00-120.00  102
 18  ω     43.00  81.00   0.50    4.00    --  113.25-125.00 -60.00   76
 19  ω     78.00 106.00   0.50    4.00    --  113.25 -94.00   0.00   56
 20  ω     44.00  69.00   0.50    4.00    --  113.25 -45.00 150.00   50
 21  ω     63.00 106.00   0.50    4.00    --  113.25 -94.00 120.00   86
 22  ω     43.00  74.00   0.50    4.00    --  113.25 -45.00-180.00   62
 23  ω     42.00  74.00   0.50    4.00    --  113.25 -94.00   0.00   64
 24  ω    125.00 162.00   0.50    4.00    --  113.25  15.00   0.00   74
 25  ω     49.00 105.00   0.50    4.00    --  113.25 -94.00-150.00  112
 26  ω     46.00  72.00   0.50    4.00    --  113.25 -94.00 -90.00   52
 27  ω     45.00  73.00   0.50    4.00    --  113.25 -45.00 -30.00   56
 28  ω    107.00 177.00   0.50    4.00    --  113.25  30.00 150.00  140
 29  ω     77.00 103.00   0.50    4.00    --  113.25 -94.00 -90.00   52
 30  ω     39.00  65.00   0.50    4.00    --  113.25 -30.00 -90.00   52
 31  ω     43.00 105.00   0.50    4.00    --  113.25 -94.00 150.00  124
 32  ω     96.00 178.00   0.50    4.00    --  113.25 125.00-180.00  164
 33  ω     39.00  93.00   0.50    4.00    --  113.25 -15.00-120.00  108
 34  ω     50.00 104.00   0.50    4.00    --  113.25 -94.00 -60.00  108
 35  ω     44.00  70.00   0.50    4.00    --  113.25 -45.00 120.00   52
 36  ω     66.00 101.00   0.50    4.00    --  113.25 -94.00  60.00   70
 37  ω     93.00 156.00   0.50    4.00    --  113.25  77.00   0.00  126
 38  ω     78.00 103.00   0.50    4.00    --  113.25 -94.00 -30.00   50
 39  ω     73.00 100.00   0.50    4.00    --  113.25-125.00 150.00   54
 40  ω    130.00 170.00   0.50    4.00    --  113.25  45.00 -90.00   80
 41  ω     74.00 105.00   0.50    4.00    --  113.25 -94.00-120.00   62
 42  ω     46.00  72.00   0.50    4.00    --  113.25-125.00 150.00   52
 43  ω    115.00 178.00   0.50    4.00    --  113.25  45.00  30.00  126
 44  ω     49.00  75.00   0.50    4.00    --  113.25 -45.00  60.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0140547000
_diffrn_orient_matrix_UB_12      0.0699274000
_diffrn_orient_matrix_UB_13      0.1075634000
_diffrn_orient_matrix_UB_21      0.1362723000
_diffrn_orient_matrix_UB_22      0.1010312000
_diffrn_orient_matrix_UB_23      0.0016923000
_diffrn_orient_matrix_UB_31      -0.0894353000
_diffrn_orient_matrix_UB_32      0.0841199000
_diffrn_orient_matrix_UB_33      -0.0736171000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0516
_diffrn_reflns_av_unetI/netI     0.0506
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15501
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         80.354
_diffrn_reflns_theta_min         3.740
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.906
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.59063
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.113a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_description       plate
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.554
_refine_diff_density_min         -1.163
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         5122
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1120P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1412
_refine_ls_wR_factor_ref         0.1467
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4464
_reflns_number_total             5122
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt02542j2.cif
_cod_data_source_block           gaet28q_auto
_cod_database_code               7714203
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'Ga C H N O'
_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_max   0.944
_shelx_estimated_absorpt_t_min   0.801
_diffrn_oxdiff_digest_frames
;
01fe4e55a23c72d5eaf462953d13b7845a03786fd10
;
_diffrn_oxdiff_digest_hkl
;
01447e19e12079cf3392936e317ed48781b731
;
_reflns_odcompleteness_completeness 99.52
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     71.98
_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:
 C12(H12A,H12B), C23(H23A,H23B), C25(H25A,H25B), C10(H10A,H10B)
2.b Aromatic/amide H refined with riding coordinates:
 C20(H20), C7(H7), C14(H14), C5(H5), C15(H15), C3(H3), C16(H16), C1(H1),
 C6(H6), C19(H19), C2(H2), C18(H18)
2.c Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C13(H13A,H13B,H13C), C11(H11A,H11B,H11C), C26(H26A,H26B,
 H26C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.719
_oxdiff_exptl_absorpt_empirical_full_min 0.653
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.05855(3) -0.02831(3) 0.63830(3) 0.02174(14) Uani 1 1 d . . . . .
Ga2 Ga 0.49230(3) 0.53613(3) 0.86269(3) 0.02336(14) Uani 1 1 d . . . . .
O1 O 0.1276(2) 0.04452(19) 0.51162(15) 0.0242(4) Uani 1 1 d . . . . .
O2 O 0.6025(2) 0.4587(2) 0.98785(16) 0.0252(4) Uani 1 1 d . . . . .
N2 N 0.6640(3) 0.4952(2) 0.79045(19) 0.0253(5) Uani 1 1 d . . . . .
N1 N 0.2889(3) 0.0292(2) 0.71324(19) 0.0239(5) Uani 1 1 d . . . . .
C8 C 0.2672(3) 0.0869(2) 0.5256(2) 0.0223(5) Uani 1 1 d . . . . .
C22 C 0.7510(3) 0.4358(2) 0.8668(2) 0.0225(5) Uani 1 1 d . . . . .
C4 C 0.5056(3) 0.1248(3) 0.6581(2) 0.0251(5) Uani 1 1 d . . . . .
C21 C 0.7152(3) 0.4171(3) 0.9724(2) 0.0233(5) Uani 1 1 d . . . . .
C9 C 0.3563(3) 0.0804(2) 0.6345(2) 0.0217(5) Uani 1 1 d . . . . .
C17 C 0.8711(3) 0.3986(3) 0.8443(2) 0.0251(5) Uani 1 1 d . . . . .
C12 C -0.0062(3) 0.0847(3) 0.7368(2) 0.0248(5) Uani 1 1 d . . . . .
H12A H 0.0662 0.1661 0.7603 0.030 Uiso 1 1 calc R . . . .
H12B H -0.0956 0.1066 0.6945 0.030 Uiso 1 1 calc R . . . .
C20 C 0.7981(3) 0.3561(3) 1.0522(2) 0.0260(5) Uani 1 1 d . . . . .
H20 H 0.7747 0.3399 1.1223 0.031 Uiso 1 1 calc R . . . .
C7 C 0.3301(3) 0.1360(3) 0.4423(2) 0.0265(5) Uani 1 1 d . . . . .
H7 H 0.2731 0.1414 0.3688 0.032 Uiso 1 1 calc R . . . .
C14 C 0.6941(3) 0.5185(3) 0.6919(2) 0.0284(6) Uani 1 1 d . . . . .
H14 H 0.6342 0.5600 0.6389 0.034 Uiso 1 1 calc R . . . .
C5 C 0.5665(3) 0.1740(3) 0.5703(3) 0.0289(6) Uani 1 1 d . . . . .
H5 H 0.6664 0.2035 0.5836 0.035 Uiso 1 1 calc R . . . .
C23 C 0.5502(3) 0.7265(3) 0.8659(3) 0.0296(6) Uani 1 1 d . . . . .
H23A H 0.5571 0.7509 0.7894 0.035 Uiso 1 1 calc R . . . .
H23B H 0.4761 0.7657 0.8860 0.035 Uiso 1 1 calc R . . . .
C15 C 0.8113(3) 0.4842(3) 0.6625(2) 0.0295(6) Uani 1 1 d . . . . .
H15 H 0.8294 0.5021 0.5909 0.035 Uiso 1 1 calc R . . . .
C3 C 0.5842(3) 0.1152(3) 0.7698(3) 0.0312(6) Uani 1 1 d . . . . .
H3 H 0.6846 0.1440 0.7902 0.037 Uiso 1 1 calc R . . . .
C16 C 0.8990(3) 0.4248(3) 0.7379(2) 0.0275(6) Uani 1 1 d . . . . .
H16 H 0.9784 0.4012 0.7189 0.033 Uiso 1 1 calc R . . . .
C1 C 0.3659(3) 0.0208(3) 0.8166(2) 0.0294(6) Uani 1 1 d . . . . .
H1 H 0.3191 -0.0158 0.8714 0.035 Uiso 1 1 calc R . . . .
C24 C 0.6918(4) 0.7812(3) 0.9500(3) 0.0365(7) Uani 1 1 d . . . . .
H24A H 0.6841 0.7618 1.0266 0.055 Uiso 1 1 calc GR . . . .
H24B H 0.7170 0.8750 0.9463 0.055 Uiso 1 1 calc GR . . . .
H24C H 0.7655 0.7420 0.9311 0.055 Uiso 1 1 calc GR . . . .
C6 C 0.4791(3) 0.1785(3) 0.4654(3) 0.0306(6) Uani 1 1 d . . . . .
H6 H 0.5202 0.2113 0.4064 0.037 Uiso 1 1 calc R . . . .
C19 C 0.9184(3) 0.3177(3) 1.0292(3) 0.0287(6) Uani 1 1 d . . . . .
H19 H 0.9748 0.2765 1.0851 0.034 Uiso 1 1 calc R . . . .
C25 C 0.3285(3) 0.4104(3) 0.7673(2) 0.0320(6) Uani 1 1 d . . . . .
H25A H 0.3407 0.3221 0.7847 0.038 Uiso 1 1 calc R . . . .
H25B H 0.2412 0.4222 0.7882 0.038 Uiso 1 1 calc R . . . .
C2 C 0.5146(3) 0.0642(3) 0.8479(3) 0.0340(6) Uani 1 1 d . . . . .
H2 H 0.5663 0.0580 0.9231 0.041 Uiso 1 1 calc R . . . .
C10 C 0.0383(3) -0.2172(3) 0.6425(2) 0.0285(6) Uani 1 1 d . . . . .
H10A H 0.0840 -0.2362 0.7198 0.034 Uiso 1 1 calc R . . . .
H10B H -0.0639 -0.2581 0.6269 0.034 Uiso 1 1 calc R . . . .
C13 C -0.0308(4) 0.0159(3) 0.8424(3) 0.0329(6) Uani 1 1 d . . . . .
H13A H -0.1030 -0.0643 0.8189 0.049 Uiso 1 1 calc GR . . . .
H13B H -0.0633 0.0726 0.8904 0.049 Uiso 1 1 calc GR . . . .
H13C H 0.0583 -0.0042 0.8848 0.049 Uiso 1 1 calc GR . . . .
C18 C 0.9554(3) 0.3384(3) 0.9288(2) 0.0275(6) Uani 1 1 d . . . . .
H18 H 1.0368 0.3126 0.9159 0.033 Uiso 1 1 calc R . . . .
C11 C 0.1024(5) -0.2784(4) 0.5588(4) 0.0475(9) Uani 1 1 d . . . . .
H11A H 0.0566 -0.2618 0.4817 0.071 Uiso 1 1 calc GR . . . .
H11B H 0.0874 -0.3718 0.5658 0.071 Uiso 1 1 calc GR . . . .
H11C H 0.2044 -0.2409 0.5751 0.071 Uiso 1 1 calc GR . . . .
C26 C 0.3071(4) 0.4202(4) 0.6402(3) 0.0435(8) Uani 1 1 d . . . . .
H26A H 0.2995 0.5084 0.6220 0.065 Uiso 1 1 calc GR . . . .
H26B H 0.2199 0.3594 0.6001 0.065 Uiso 1 1 calc GR . . . .
H26C H 0.3883 0.3992 0.6168 0.065 Uiso 1 1 calc GR . . . .
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'
Ga Ga -1.2846 0.7763 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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_
_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
O1 Ga1 O1 71.50(9) . 2_556 ?
O1 Ga1 N1 78.18(8) . . ?
O1 Ga1 C12 118.71(10) . . ?
O1 Ga1 C10 114.73(11) . . ?
N1 Ga1 O1 149.67(8) . 2_556 ?
C12 Ga1 O1 96.21(10) . 2_556 ?
C12 Ga1 N1 98.99(10) . . ?
C10 Ga1 O1 93.83(10) . 2_556 ?
C10 Ga1 N1 98.12(11) . . ?
C10 Ga1 C12 126.08(12) . . ?
O2 Ga2 O2 70.86(9) . 2_667 ?
O2 Ga2 N2 78.46(9) . . ?
O2 Ga2 C23 114.63(11) . . ?
O2 Ga2 C25 113.05(11) . . ?
N2 Ga2 O2 149.12(8) . 2_667 ?
C23 Ga2 O2 94.01(11) . 2_667 ?
C23 Ga2 N2 95.66(11) . . ?
C25 Ga2 O2 95.10(11) . 2_667 ?
C25 Ga2 N2 100.01(11) . . ?
C25 Ga2 C23 131.83(13) . . ?
Ga1 O1 Ga1 108.50(9) . 2_556 ?
C8 O1 Ga1 118.68(16) . . ?
C8 O1 Ga1 132.74(16) . 2_556 ?
Ga2 O2 Ga2 109.14(9) . 2_667 ?
C21 O2 Ga2 118.28(17) . . ?
C21 O2 Ga2 132.56(16) . 2_667 ?
C22 N2 Ga2 109.69(18) . . ?
C14 N2 Ga2 131.8(2) . . ?
C14 N2 C22 118.5(3) . . ?
C9 N1 Ga1 110.06(17) . . ?
C1 N1 Ga1 131.2(2) . . ?
C1 N1 C9 118.7(2) . . ?
O1 C8 C9 117.3(2) . . ?
O1 C8 C7 124.6(2) . . ?
C7 C8 C9 118.1(2) . . ?
N2 C22 C21 115.7(2) . . ?
N2 C22 C17 122.6(3) . . ?
C17 C22 C21 121.7(2) . . ?
C9 C4 C3 116.8(3) . . ?
C5 C4 C9 118.8(2) . . ?
C5 C4 C3 124.4(3) . . ?
O2 C21 C22 117.8(2) . . ?
O2 C21 C20 123.9(3) . . ?
C20 C21 C22 118.3(3) . . ?
N1 C9 C8 115.7(2) . . ?
N1 C9 C4 122.8(2) . . ?
C4 C9 C8 121.5(3) . . ?
C22 C17 C16 117.1(3) . . ?
C22 C17 C18 118.5(3) . . ?
C16 C17 C18 124.4(3) . . ?
Ga1 C12 H12A 109.6 . . ?
Ga1 C12 H12B 109.6 . . ?
H12A C12 H12B 108.2 . . ?
C13 C12 Ga1 110.12(19) . . ?
C13 C12 H12A 109.6 . . ?
C13 C12 H12B 109.6 . . ?
C21 C20 H20 120.0 . . ?
C21 C20 C19 120.0(3) . . ?
C19 C20 H20 120.0 . . ?
C8 C7 H7 119.8 . . ?
C8 C7 C6 120.4(3) . . ?
C6 C7 H7 119.8 . . ?
N2 C14 H14 118.7 . . ?
N2 C14 C15 122.5(3) . . ?
C15 C14 H14 118.7 . . ?
C4 C5 H5 120.5 . . ?
C6 C5 C4 119.0(3) . . ?
C6 C5 H5 120.5 . . ?
Ga2 C23 H23A 109.0 . . ?
Ga2 C23 H23B 109.0 . . ?
H23A C23 H23B 107.8 . . ?
C24 C23 Ga2 112.8(2) . . ?
C24 C23 H23A 109.0 . . ?
C24 C23 H23B 109.0 . . ?
C14 C15 H15 120.2 . . ?
C16 C15 C14 119.5(3) . . ?
C16 C15 H15 120.2 . . ?
C4 C3 H3 120.2 . . ?
C2 C3 C4 119.5(3) . . ?
C2 C3 H3 120.2 . . ?
C17 C16 H16 120.1 . . ?
C15 C16 C17 119.8(3) . . ?
C15 C16 H16 120.1 . . ?
N1 C1 H1 118.8 . . ?
N1 C1 C2 122.3(3) . . ?
C2 C1 H1 118.8 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C7 C6 H6 118.9 . . ?
C5 C6 C7 122.3(3) . . ?
C5 C6 H6 118.9 . . ?
C20 C19 H19 119.0 . . ?
C18 C19 C20 122.0(3) . . ?
C18 C19 H19 119.0 . . ?
Ga2 C25 H25A 108.5 . . ?
Ga2 C25 H25B 108.5 . . ?
H25A C25 H25B 107.5 . . ?
C26 C25 Ga2 115.1(2) . . ?
C26 C25 H25A 108.5 . . ?
C26 C25 H25B 108.5 . . ?
C3 C2 C1 119.8(3) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
Ga1 C10 H10A 108.6 . . ?
Ga1 C10 H10B 108.6 . . ?
H10A C10 H10B 107.6 . . ?
C11 C10 Ga1 114.5(2) . . ?
C11 C10 H10A 108.6 . . ?
C11 C10 H10B 108.6 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C17 C18 H18 120.3 . . ?
C19 C18 C17 119.5(3) . . ?
C19 C18 H18 120.3 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
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
Ga1 O1 1.9510(19) . ?
Ga1 O1 2.2447(18) 2_556 ?
Ga1 N1 2.202(2) . ?
Ga1 C12 1.976(3) . ?
Ga1 C10 1.974(3) . ?
Ga2 O2 2.248(2) 2_667 ?
Ga2 O2 1.9588(19) . ?
Ga2 N2 2.207(3) . ?
Ga2 C23 1.979(3) . ?
Ga2 C25 1.979(3) . ?
O1 Ga1 2.2447(18) 2_556 ?
O1 C8 1.335(3) . ?
O2 Ga2 2.248(2) 2_667 ?
O2 C21 1.334(3) . ?
N2 C22 1.370(3) . ?
N2 C14 1.324(4) . ?
N1 C9 1.360(4) . ?
N1 C1 1.325(4) . ?
C8 C9 1.423(4) . ?
C8 C7 1.376(4) . ?
C22 C21 1.424(4) . ?
C22 C17 1.412(4) . ?
C4 C9 1.417(4) . ?
C4 C5 1.411(4) . ?
C4 C3 1.418(4) . ?
C21 C20 1.382(4) . ?
C17 C16 1.413(4) . ?
C17 C18 1.418(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.541(4) . ?
C20 H20 0.9500 . ?
C20 C19 1.422(4) . ?
C7 H7 0.9500 . ?
C7 C6 1.412(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.408(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.373(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.522(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.368(4) . ?
C3 H3 0.9500 . ?
C3 C2 1.366(5) . ?
C16 H16 0.9500 . ?
C1 H1 0.9500 . ?
C1 C2 1.408(5) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C6 H6 0.9500 . ?
C19 H19 0.9500 . ?
C19 C18 1.371(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.524(4) . ?
C2 H2 0.9500 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.521(5) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C18 H18 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
