#------------------------------------------------------------------------------
#$Date: 2024-04-05 02:34:17 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290976 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/52/7715240.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_7715240
loop_
_publ_author_name
'Helling, Christoph'
'Döhler, Lotta'
'Kysliak, Oleksandr'
'Görls, Helmar'
'Liebing, Phil'
'Wölper, Christoph'
'Kretschmer, Robert'
'Schulz, Stephan'
_publ_section_title
;
 Metal-metal cooperativity boosts Lewis basicity and reduction properties
 of the bis(gallanediyl) CyL₂Ga₂.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4922
_journal_page_last               4929
_journal_paper_doi               10.1039/d4dt00172a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C50 H80 Ga N4 O2'
_chemical_formula_weight         838.90
_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     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/ccdc.csd.cc29fz2t
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2023-07-31 deposited with the CCDC.	2024-02-14 downloaded from the CCDC.
;
_cell_angle_alpha                92.67(3)
_cell_angle_beta                 94.81(3)
_cell_angle_gamma                115.886(18)
_cell_formula_units_Z            2
_cell_length_a                   11.361(10)
_cell_length_b                   11.781(11)
_cell_length_c                   19.831(17)
_cell_measurement_reflns_used    9726
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.82
_cell_measurement_theta_min      2.73
_cell_volume                     2369(4)
_computing_cell_refinement       'BRUKER APEX3(v2019.1-0)'
_computing_data_collection       'BRUKER APEX3(v2019.1-0)'
_computing_data_reduction        'BRUKER APEX3(v2019.1-0)'
_computing_molecular_graphics    'ORTEP/PLATON (Spek)'
_computing_publication_material  'BRUKER AXS SHELXTL (c) 2008 / Vers. 2008/4'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'BRUKER APEX3(v2019.1-0)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8 KAPPA II (APEX II detector)'
_diffrn_measurement_method       'Data collection strategy APEX 2/COSMO'
_diffrn_radiation_monochromator  'Triumph Goebel mirror'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0632
_diffrn_reflns_av_unetI/netI     0.0322
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            193835
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.192
_diffrn_reflns_theta_min         2.079
_exptl_absorpt_coefficient_mu    0.622
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.64
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS
 R.H. Blessing, Acta Cryst. (1995) A51 33-38 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.176
_exptl_crystal_description       tablet
_exptl_crystal_F_000             910
_exptl_crystal_size_max          0.298
_exptl_crystal_size_mid          0.152
_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.543
_refine_diff_density_min         -0.576
_refine_diff_density_rms         0.070
_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     532
_refine_ls_number_reflns         17973
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0505P)²+0.6089P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0883
_refine_ls_wR_factor_ref         0.0964
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14769
_reflns_number_total             17973
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00172a2.cif
_cod_data_source_block           ch_468m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_secondary' value 'diffmap' was
changed to 'difmap'.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7715237--7715242.cif.
;
_cod_database_code               7715240
_shelx_shelxl_version_number     2017/1
_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   0.836
_shelx_estimated_absorpt_t_max   0.946
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 0.67517(2) 0.30992(2) 0.24275(2) 0.01121(3) Uani 1 1 d . . . . .
O1 O 0.49852(8) 0.24637(8) 0.25443(4) 0.01629(15) Uani 1 1 d . . . . .
O2 O 0.73767(8) 0.38656(7) 0.16511(4) 0.01524(14) Uani 1 1 d . . . . .
N1 N 0.78399(9) 0.38799(8) 0.33159(4) 0.01280(16) Uani 1 1 d . . . . .
N2 N 0.70937(9) 0.15612(8) 0.23674(4) 0.01254(15) Uani 1 1 d . . . . .
N3 N 0.41882(9) 0.29398(9) 0.21292(5) 0.01540(17) Uani 1 1 d . . . . .
N4 N 0.81211(10) 0.52467(9) 0.16095(5) 0.01508(17) Uani 1 1 d . . . . .
C1 C 0.88855(10) 0.36407(10) 0.34857(5) 0.01350(18) Uani 1 1 d . . . . .
C2 C 0.91155(11) 0.26899(10) 0.31445(5) 0.01422(18) Uani 1 1 d . . . . .
H2 H 0.997622 0.275142 0.323858 0.017 Uiso 1 1 calc R U . . .
C3 C 0.82328(10) 0.16556(10) 0.26804(5) 0.01317(18) Uani 1 1 d . . . . .
C4 C 0.99119(12) 0.43948(12) 0.40855(6) 0.0210(2) Uani 1 1 d . . . . .
H4A H 1.076485 0.488029 0.392023 0.031 Uiso 1 1 calc R U . . .
H4B H 0.999041 0.381131 0.440262 0.031 Uiso 1 1 calc R U . . .
H4C H 0.963961 0.497722 0.431890 0.031 Uiso 1 1 calc R U . . .
C5 C 0.86362(12) 0.05922(11) 0.25623(6) 0.0174(2) Uani 1 1 d . . . . .
H5A H 0.785572 -0.022788 0.252920 0.026 Uiso 1 1 calc R U . . .
H5B H 0.926866 0.063727 0.294272 0.026 Uiso 1 1 calc R U . . .
H5C H 0.904363 0.068413 0.213900 0.026 Uiso 1 1 calc R U . . .
C6 C 0.74956(11) 0.45645(10) 0.38406(5) 0.01391(18) Uani 1 1 d . . . . .
C7 C 0.68370(11) 0.38931(11) 0.43783(6) 0.01643(19) Uani 1 1 d . . . . .
C8 C 0.65338(13) 0.45579(12) 0.48914(6) 0.0218(2) Uani 1 1 d . . . . .
H8 H 0.610026 0.412201 0.525599 0.026 Uiso 1 1 calc R U . . .
C9 C 0.68577(14) 0.58458(13) 0.48753(6) 0.0248(2) Uani 1 1 d . . . . .
H9 H 0.664568 0.627838 0.522554 0.030 Uiso 1 1 calc R U . . .
C10 C 0.74958(13) 0.64914(12) 0.43397(6) 0.0221(2) Uani 1 1 d . . . . .
H10 H 0.771165 0.736513 0.432944 0.027 Uiso 1 1 calc R U . . .
C11 C 0.78263(11) 0.58732(10) 0.38138(6) 0.01613(19) Uani 1 1 d . . . . .
C12 C 0.64485(12) 0.24787(11) 0.44335(6) 0.0185(2) Uani 1 1 d . . . . .
H12 H 0.665764 0.213314 0.401412 0.022 Uiso 1 1 calc R U . . .
C13 C 0.72370(15) 0.22850(14) 0.50552(7) 0.0301(3) Uani 1 1 d . . . . .
H13A H 0.699316 0.137986 0.506857 0.045 Uiso 1 1 calc R U . . .
H13B H 0.703541 0.260762 0.547250 0.045 Uiso 1 1 calc R U . . .
H13C H 0.818189 0.274485 0.501818 0.045 Uiso 1 1 calc R U . . .
C14 C 0.49599(14) 0.17299(13) 0.44812(8) 0.0275(3) Uani 1 1 d . . . . .
H14A H 0.446248 0.182361 0.407717 0.041 Uiso 1 1 calc R U . . .
H14B H 0.473407 0.205872 0.488845 0.041 Uiso 1 1 calc R U . . .
H14C H 0.473737 0.083177 0.450842 0.041 Uiso 1 1 calc R U . . .
C15 C 0.85618(12) 0.66448(11) 0.32557(6) 0.0183(2) Uani 1 1 d . . . . .
H15 H 0.842444 0.604926 0.284823 0.022 Uiso 1 1 calc R U . . .
C16 C 1.00568(14) 0.73586(13) 0.34937(7) 0.0278(3) Uani 1 1 d . . . . .
H16A H 1.050967 0.787131 0.313667 0.042 Uiso 1 1 calc R U . . .
H16B H 1.040294 0.674462 0.358676 0.042 Uiso 1 1 calc R U . . .
H16C H 1.020434 0.791162 0.390832 0.042 Uiso 1 1 calc R U . . .
C17 C 0.80784(16) 0.76310(12) 0.30428(7) 0.0271(3) Uani 1 1 d . . . . .
H17A H 0.846495 0.799231 0.263389 0.041 Uiso 1 1 calc R U . . .
H17B H 0.834823 0.830785 0.341203 0.041 Uiso 1 1 calc R U . . .
H17C H 0.711594 0.721756 0.294779 0.041 Uiso 1 1 calc R U . . .
C18 C 0.62206(11) 0.03483(10) 0.19755(5) 0.01398(18) Uani 1 1 d . . . . .
C19 C 0.51646(11) -0.05698(11) 0.22828(6) 0.01644(19) Uani 1 1 d . . . . .
C20 C 0.43570(13) -0.17411(12) 0.19069(6) 0.0220(2) Uani 1 1 d . . . . .
H20 H 0.364608 -0.235957 0.210445 0.026 Uiso 1 1 calc R U . . .
C21 C 0.45805(13) -0.20123(12) 0.12482(7) 0.0239(2) Uani 1 1 d . . . . .
H21 H 0.402526 -0.280639 0.100162 0.029 Uiso 1 1 calc R U . . .
C22 C 0.56213(13) -0.11106(11) 0.09578(6) 0.0205(2) Uani 1 1 d . . . . .
H22 H 0.577082 -0.130240 0.051177 0.025 Uiso 1 1 calc R U . . .
C23 C 0.64625(11) 0.00823(10) 0.13072(5) 0.01539(19) Uani 1 1 d . . . . .
C24 C 0.49238(12) -0.03382(11) 0.30161(6) 0.0182(2) Uani 1 1 d . . . . .
H24 H 0.511978 0.057392 0.309945 0.022 Uiso 1 1 calc R U . . .
C25 C 0.58564(13) -0.06048(13) 0.35326(6) 0.0240(2) Uani 1 1 d . . . . .
H25A H 0.574365 -0.147084 0.343083 0.036 Uiso 1 1 calc R U . . .
H25B H 0.564289 -0.050909 0.399400 0.036 Uiso 1 1 calc R U . . .
H25C H 0.677142 -0.000284 0.349902 0.036 Uiso 1 1 calc R U . . .
C26 C 0.34869(13) -0.11529(13) 0.31530(7) 0.0260(3) Uani 1 1 d . . . . .
H26A H 0.288189 -0.112217 0.277980 0.039 Uiso 1 1 calc R U . . .
H26B H 0.332867 -0.082127 0.358066 0.039 Uiso 1 1 calc R U . . .
H26C H 0.333933 -0.203171 0.318524 0.039 Uiso 1 1 calc R U . . .
C27 C 0.75796(12) 0.10203(11) 0.09435(6) 0.0174(2) Uani 1 1 d . . . . .
H27 H 0.812910 0.178087 0.126928 0.021 Uiso 1 1 calc R U . . .
C28 C 0.84830(13) 0.04421(13) 0.06958(6) 0.0227(2) Uani 1 1 d . . . . .
H28A H 0.798990 -0.023039 0.032926 0.034 Uiso 1 1 calc R U . . .
H28B H 0.877749 0.008763 0.107483 0.034 Uiso 1 1 calc R U . . .
H28C H 0.925042 0.110502 0.052727 0.034 Uiso 1 1 calc R U . . .
C29 C 0.70048(14) 0.14538(12) 0.03262(6) 0.0222(2) Uani 1 1 d . . . . .
H29A H 0.772505 0.202617 0.008784 0.033 Uiso 1 1 calc R U . . .
H29B H 0.650906 0.189734 0.048458 0.033 Uiso 1 1 calc R U . . .
H29C H 0.641683 0.071194 0.001562 0.033 Uiso 1 1 calc R U . . .
C30 C 0.33193(11) 0.19184(11) 0.15820(6) 0.0187(2) Uani 1 1 d . . . . .
C31 C 0.25051(13) 0.24672(13) 0.11577(6) 0.0232(2) Uani 1 1 d . . . . .
H31A H 0.310872 0.316627 0.091463 0.028 Uiso 1 1 calc R U . . .
H31B H 0.187293 0.179734 0.081228 0.028 Uiso 1 1 calc R U . . .
C32 C 0.17431(14) 0.29665(15) 0.15919(7) 0.0276(3) Uani 1 1 d . . . . .
H32A H 0.129828 0.336081 0.130320 0.033 Uiso 1 1 calc R U . . .
H32B H 0.106164 0.225610 0.179505 0.033 Uiso 1 1 calc R U . . .
C33 C 0.27044(14) 0.39494(14) 0.21569(7) 0.0260(3) Uani 1 1 d . . . . .
H33A H 0.220046 0.423132 0.245009 0.031 Uiso 1 1 calc R U . . .
H33B H 0.331751 0.469768 0.194799 0.031 Uiso 1 1 calc R U . . .
C34 C 0.35168(12) 0.34328(12) 0.26048(6) 0.0196(2) Uani 1 1 d . . . . .
C35 C 0.42297(13) 0.16945(13) 0.11153(6) 0.0233(2) Uani 1 1 d . . . . .
H35A H 0.371045 0.120584 0.069172 0.035 Uiso 1 1 calc R U . . .
H35B H 0.464890 0.122301 0.134465 0.035 Uiso 1 1 calc R U . . .
H35C H 0.490893 0.251211 0.101262 0.035 Uiso 1 1 calc R U . . .
C36 C 0.24137(14) 0.06179(13) 0.18248(8) 0.0286(3) Uani 1 1 d . . . . .
H36A H 0.212894 -0.004187 0.144529 0.043 Uiso 1 1 calc R U . . .
H36B H 0.164038 0.065711 0.198794 0.043 Uiso 1 1 calc R U . . .
H36C H 0.290040 0.041795 0.219445 0.043 Uiso 1 1 calc R U . . .
C37 C 0.45986(14) 0.45563(13) 0.30651(7) 0.0255(3) Uani 1 1 d . . . . .
H37A H 0.525724 0.510775 0.278847 0.038 Uiso 1 1 calc R U . . .
H37B H 0.502232 0.423666 0.340685 0.038 Uiso 1 1 calc R U . . .
H37C H 0.420409 0.503906 0.329254 0.038 Uiso 1 1 calc R U . . .
C38 C 0.26369(13) 0.24680(15) 0.30722(7) 0.0284(3) Uani 1 1 d . . . . .
H38A H 0.178050 0.191779 0.281614 0.043 Uiso 1 1 calc R U . . .
H38B H 0.250875 0.292583 0.346264 0.043 Uiso 1 1 calc R U . . .
H38C H 0.306606 0.195144 0.323260 0.043 Uiso 1 1 calc R U . . .
C39 C 0.94921(12) 0.54974(11) 0.14648(6) 0.0175(2) Uani 1 1 d . . . . .
C40 C 1.02508(13) 0.69338(12) 0.13687(7) 0.0239(2) Uani 1 1 d . . . . .
H40A H 1.034471 0.743406 0.180209 0.029 Uiso 1 1 calc R U . . .
H40B H 1.114604 0.711650 0.125774 0.029 Uiso 1 1 calc R U . . .
C41 C 0.95592(14) 0.73579(13) 0.08038(7) 0.0257(3) Uani 1 1 d . . . . .
H41A H 1.005859 0.828018 0.077249 0.031 Uiso 1 1 calc R U . . .
H41B H 0.951210 0.690892 0.036039 0.031 Uiso 1 1 calc R U . . .
C42 C 0.81677(13) 0.70454(12) 0.09786(7) 0.0228(2) Uani 1 1 d . . . . .
H42A H 0.769981 0.727849 0.060759 0.027 Uiso 1 1 calc R U . . .
H42B H 0.823641 0.757026 0.139831 0.027 Uiso 1 1 calc R U . . .
C43 C 0.73359(12) 0.56254(11) 0.10854(6) 0.0177(2) Uani 1 1 d . . . . .
C44 C 1.01864(12) 0.52257(12) 0.20953(6) 0.0208(2) Uani 1 1 d . . . . .
H44A H 0.979246 0.431086 0.213473 0.031 Uiso 1 1 calc R U . . .
H44B H 1.008233 0.565923 0.250344 0.031 Uiso 1 1 calc R U . . .
H44C H 1.112546 0.553424 0.204811 0.031 Uiso 1 1 calc R U . . .
C45 C 0.95673(13) 0.46800(13) 0.08509(6) 0.0228(2) Uani 1 1 d . . . . .
H45A H 0.923148 0.490053 0.043088 0.034 Uiso 1 1 calc R U . . .
H45B H 0.903302 0.378129 0.090408 0.034 Uiso 1 1 calc R U . . .
H45C H 1.048483 0.484070 0.082929 0.034 Uiso 1 1 calc R U . . .
C46 C 0.61048(13) 0.55280(12) 0.13978(7) 0.0216(2) Uani 1 1 d . . . . .
H46A H 0.560300 0.582263 0.108653 0.032 Uiso 1 1 calc R U . . .
H46B H 0.637285 0.605512 0.183184 0.032 Uiso 1 1 calc R U . . .
H46C H 0.555413 0.464406 0.147419 0.032 Uiso 1 1 calc R U . . .
C47 C 0.68852(13) 0.48127(12) 0.03850(6) 0.0221(2) Uani 1 1 d . . . . .
H47A H 0.610572 0.486158 0.016478 0.033 Uiso 1 1 calc R U . . .
H47B H 0.666916 0.392866 0.045533 0.033 Uiso 1 1 calc R U . . .
H47C H 0.759796 0.513771 0.009519 0.033 Uiso 1 1 calc R U . . .
C1_1 C 0.94082(16) 0.92769(14) 0.55213(7) 0.0319(3) Uani 1 1 d . . . . .
H1_1 H 0.900373 0.878857 0.587745 0.038 Uiso 1 1 calc R U . . .
C2_1 C 0.87541(15) 0.98366(14) 0.51340(8) 0.0314(3) Uani 1 1 d . . . . .
H2_1 H 0.790279 0.971981 0.522513 0.038 Uiso 1 1 calc R U . . .
C3_1 C 0.93471(16) 1.05664(14) 0.46141(7) 0.0304(3) Uani 1 1 d . . . . .
H3_1 H 0.890611 1.095348 0.435425 0.036 Uiso 1 1 calc R U . . .
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'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
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 O2 121.04(4) . . ?
O1 Ga1 N1 109.45(6) . . ?
O2 Ga1 N1 117.91(7) . . ?
O1 Ga1 N2 104.36(6) . . ?
O2 Ga1 N2 102.93(6) . . ?
N1 Ga1 N2 96.67(6) . . ?
N3 O1 Ga1 117.19(8) . . ?
N4 O2 Ga1 125.44(7) . . ?
C1 N1 C6 116.90(10) . . ?
C1 N1 Ga1 118.19(8) . . ?
C6 N1 Ga1 124.43(9) . . ?
C3 N2 C18 116.73(10) . . ?
C3 N2 Ga1 118.20(8) . . ?
C18 N2 Ga1 124.99(9) . . ?
O1 N3 C30 108.68(10) . . ?
O1 N3 C34 107.65(10) . . ?
C30 N3 C34 117.04(11) . . ?
O2 N4 C39 107.19(9) . . ?
O2 N4 C43 107.43(10) . . ?
C39 N4 C43 116.23(10) . . ?
N1 C1 C2 124.34(10) . . ?
N1 C1 C4 121.09(11) . . ?
C2 C1 C4 114.56(11) . . ?
C1 C2 C3 128.63(11) . . ?
N2 C3 C2 124.36(11) . . ?
N2 C3 C5 120.27(10) . . ?
C2 C3 C5 115.35(11) . . ?
C7 C6 C11 120.93(10) . . ?
C7 C6 N1 118.40(11) . . ?
C11 C6 N1 120.67(10) . . ?
C8 C7 C6 118.43(12) . . ?
C8 C7 C12 118.22(11) . . ?
C6 C7 C12 123.35(10) . . ?
C9 C8 C7 121.42(12) . . ?
C10 C9 C8 119.49(11) . . ?
C9 C10 C11 121.44(13) . . ?
C10 C11 C6 118.28(11) . . ?
C10 C11 C15 118.74(12) . . ?
C6 C11 C15 122.94(10) . . ?
C7 C12 C14 111.18(11) . . ?
C7 C12 C13 111.22(11) . . ?
C14 C12 C13 109.62(12) . . ?
C11 C15 C17 112.77(11) . . ?
C11 C15 C16 110.49(11) . . ?
C17 C15 C16 108.06(12) . . ?
C23 C18 C19 120.76(11) . . ?
C23 C18 N2 120.09(10) . . ?
C19 C18 N2 119.11(11) . . ?
C20 C19 C18 118.44(12) . . ?
C20 C19 C24 119.55(11) . . ?
C18 C19 C24 121.96(11) . . ?
C21 C20 C19 121.37(12) . . ?
C22 C21 C20 119.48(12) . . ?
C21 C22 C23 121.86(12) . . ?
C22 C23 C18 118.09(11) . . ?
C22 C23 C27 118.14(11) . . ?
C18 C23 C27 123.77(11) . . ?
C19 C24 C26 112.96(11) . . ?
C19 C24 C25 110.96(11) . . ?
C26 C24 C25 108.57(12) . . ?
C23 C27 C29 110.21(12) . . ?
C23 C27 C28 112.23(12) . . ?
C29 C27 C28 109.07(11) . . ?
N3 C30 C35 107.14(11) . . ?
N3 C30 C36 116.20(12) . . ?
C35 C30 C36 107.37(12) . . ?
N3 C30 C31 106.69(12) . . ?
C35 C30 C31 107.69(12) . . ?
C36 C30 C31 111.39(12) . . ?
C32 C31 C30 113.18(12) . . ?
C33 C32 C31 109.38(12) . . ?
C32 C33 C34 113.14(13) . . ?
N3 C34 C37 107.56(12) . . ?
N3 C34 C38 115.73(12) . . ?
C37 C34 C38 107.70(12) . . ?
N3 C34 C33 106.64(11) . . ?
C37 C34 C33 108.05(13) . . ?
C38 C34 C33 110.89(12) . . ?
N4 C39 C44 108.16(10) . . ?
N4 C39 C45 115.52(10) . . ?
C44 C39 C45 106.88(11) . . ?
N4 C39 C40 107.48(10) . . ?
C44 C39 C40 107.97(11) . . ?
C45 C39 C40 110.58(11) . . ?
C41 C40 C39 112.96(12) . . ?
C42 C41 C40 108.16(11) . . ?
C41 C42 C43 113.80(11) . . ?
N4 C43 C46 107.08(11) . . ?
N4 C43 C42 108.29(11) . . ?
C46 C43 C42 106.99(11) . . ?
N4 C43 C47 115.83(11) . . ?
C46 C43 C47 108.48(11) . . ?
C42 C43 C47 109.79(11) . . ?
C3_1 C1_1 C2_1 120.19(14) 2_776 . ?
C3_1 C2_1 C1_1 120.28(15) . . ?
C1_1 C3_1 C2_1 119.53(14) 2_776 . ?
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 1.8505(19) . ?
Ga1 O2 1.8555(15) . ?
Ga1 N1 1.9924(17) . ?
Ga1 N2 2.0125(19) . ?
O1 N3 1.4743(15) . ?
O2 N4 1.4806(18) . ?
N1 C1 1.3557(17) . ?
N1 C6 1.4669(16) . ?
N2 C3 1.3438(18) . ?
N2 C18 1.4695(17) . ?
N3 C30 1.5039(18) . ?
N3 C34 1.5051(17) . ?
N4 C39 1.509(2) . ?
N4 C43 1.5200(17) . ?
C1 C2 1.4126(18) . ?
C1 C4 1.5260(19) . ?
C2 C3 1.4184(18) . ?
C3 C5 1.5252(19) . ?
C6 C7 1.4206(18) . ?
C6 C11 1.423(2) . ?
C7 C8 1.4098(18) . ?
C7 C12 1.538(2) . ?
C8 C9 1.399(2) . ?
C9 C10 1.398(2) . ?
C10 C11 1.4116(18) . ?
C11 C15 1.5282(19) . ?
C12 C14 1.543(2) . ?
C12 C13 1.547(2) . ?
C15 C17 1.547(2) . ?
C15 C16 1.548(2) . ?
C18 C23 1.4240(18) . ?
C18 C19 1.4253(18) . ?
C19 C20 1.4092(19) . ?
C19 C24 1.536(2) . ?
C20 C21 1.400(2) . ?
C21 C22 1.390(2) . ?
C22 C23 1.4121(19) . ?
C23 C27 1.5346(19) . ?
C24 C26 1.546(2) . ?
C24 C25 1.552(2) . ?
C27 C29 1.5497(19) . ?
C27 C28 1.5565(19) . ?
C30 C35 1.540(2) . ?
C30 C36 1.553(2) . ?
C30 C31 1.5570(19) . ?
C31 C32 1.536(2) . ?
C32 C33 1.536(2) . ?
C33 C34 1.554(2) . ?
C34 C37 1.541(2) . ?
C34 C38 1.553(2) . ?
C39 C44 1.5428(19) . ?
C39 C45 1.548(2) . ?
C39 C40 1.558(2) . ?
C40 C41 1.539(2) . ?
C41 C42 1.533(2) . ?
C42 C43 1.556(2) . ?
C43 C46 1.538(2) . ?
C43 C47 1.561(2) . ?
C1_1 C3_1 1.395(3) 2_776 ?
C1_1 C2_1 1.399(2) . ?
C2_1 C3_1 1.396(2) . ?
