#------------------------------------------------------------------------------
#$Date: 2016-03-22 10:39:23 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178879 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/08/4110896.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_4110896
loop_
_publ_author_name
'Robert J. Wright'
'Marcin Brynda'
'James C. Fettinger'
'Audra R. Betzer'
'Philip P. Power'
_publ_section_title
;
 Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic
 Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' =
 C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12498
_journal_page_last               12509
_journal_paper_doi               10.1021/ja063072k
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety         'C88 H104 Ga2 N2'
_chemical_formula_sum            'C88 H104 Ga2 N2'
_chemical_formula_weight         1329.17
_chemical_name_common            (Dipp*GaNAr)2
_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                 123.089(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.919(6)
_cell_length_b                   14.966(3)
_cell_length_c                   22.663(5)
_cell_measurement_reflns_used    804
_cell_measurement_temperature    91(2)
_cell_measurement_theta_max      30.235
_cell_measurement_theta_min      2.27
_cell_volume                     7365(3)
_computing_cell_refinement       'Bruker Saint 6.35A (Bruker 2002)'
_computing_data_collection       'Bruker Smart 5.054 (Bruker 2001)'
_computing_data_reduction        'Bruker Saint 6.35A (Bruker 2002)'
_computing_molecular_graphics    'SHELXTl-5, Xp (Sheldrick, 1994)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      91(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart 1000'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            32652
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.65
_diffrn_standards_number         '50 frames remeasured'
_exptl_absorpt_coefficient_mu    0.778
_exptl_absorpt_correction_T_max  0.8234
_exptl_absorpt_correction_T_min  0.7462
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS 2.04 (Bruker 2002)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_description       block
_exptl_crystal_F_000             2832
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.147
_refine_diff_density_min         -0.524
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         6470
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0369
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0497P)²+19.9643P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.1063
_reflns_number_gt                5395
_reflns_number_total             6470
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja063072ksi20060502_054447.cif
_cod_data_source_block           rjw19
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'monoclinic ' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4110896
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
Ga1 Ga 0.057066(11) 0.493604(16) 0.279032(13) 0.01419(10) Uani 1 1 d .
N1 N 0.03359(9) 0.37095(13) 0.26953(10) 0.0178(4) Uani 1 1 d .
C1 C 0.14582(11) 0.52448(15) 0.32300(12) 0.0151(5) Uani 1 1 d .
C2 C 0.16984(11) 0.50003(15) 0.28214(12) 0.0153(5) Uani 1 1 d .
C3 C 0.23133(11) 0.51690(16) 0.30702(13) 0.0189(5) Uani 1 1 d .
H3A H 0.2471 0.5010 0.2792 0.023 Uiso 1 1 calc R
C4 C 0.26969(11) 0.55678(17) 0.37216(13) 0.0198(5) Uani 1 1 d .
H4A H 0.3119 0.5662 0.3896 0.024 Uiso 1 1 calc R
C5 C 0.24619(11) 0.58291(16) 0.41192(12) 0.0180(5) Uani 1 1 d .
H5A H 0.2725 0.6107 0.4564 0.022 Uiso 1 1 calc R
C6 C 0.18414(10) 0.56875(15) 0.38719(12) 0.0152(5) Uani 1 1 d .
C7 C 0.12612(10) 0.46074(16) 0.21058(12) 0.0158(5) Uani 1 1 d .
C8 C 0.13043(11) 0.37044(16) 0.19505(12) 0.0176(5) Uani 1 1 d .
C9 C 0.08318(11) 0.33533(16) 0.13122(12) 0.0190(5) Uani 1 1 d .
H9A H 0.0846 0.2741 0.1211 0.023 Uiso 1 1 calc R
C10 C 0.03419(11) 0.38732(17) 0.08216(13) 0.0209(5) Uani 1 1 d .
H10A H 0.0018 0.3613 0.0396 0.025 Uiso 1 1 calc R
C11 C 0.03241(11) 0.47761(17) 0.09513(13) 0.0203(5) Uani 1 1 d .
H11A H -0.0002 0.5137 0.0601 0.024 Uiso 1 1 calc R
C12 C 0.07790(11) 0.51596(16) 0.15898(13) 0.0174(5) Uani 1 1 d .
C13 C 0.18646(11) 0.31260(17) 0.24403(13) 0.0216(5) Uani 1 1 d .
H13A H 0.2079 0.3389 0.2924 0.026 Uiso 1 1 calc R
C14 C 0.17012(14) 0.21525(18) 0.24829(15) 0.0305(6) Uani 1 1 d .
H14A H 0.1386 0.2139 0.2596 0.046 Uiso 1 1 calc R
H14B H 0.2070 0.1839 0.2851 0.046 Uiso 1 1 calc R
H14C H 0.1543 0.1858 0.2029 0.046 Uiso 1 1 calc R
C15 C 0.23130(12) 0.31482(19) 0.21916(14) 0.0279(6) Uani 1 1 d .
H15A H 0.2417 0.3770 0.2162 0.042 Uiso 1 1 calc R
H15B H 0.2118 0.2868 0.1727 0.042 Uiso 1 1 calc R
H15C H 0.2689 0.2821 0.2528 0.042 Uiso 1 1 calc R
C16 C 0.07928(11) 0.61742(16) 0.16890(12) 0.0193(5) Uani 1 1 d .
H16A H 0.0961 0.6293 0.2197 0.023 Uiso 1 1 calc R
C17 C 0.12339(12) 0.66012(18) 0.15127(15) 0.0278(6) Uani 1 1 d .
H17A H 0.1642 0.6328 0.1805 0.042 Uiso 1 1 calc R
H17B H 0.1264 0.7244 0.1607 0.042 Uiso 1 1 calc R
H17C H 0.1076 0.6502 0.1014 0.042 Uiso 1 1 calc R
C18 C 0.01617(12) 0.66234(17) 0.12537(13) 0.0236(5) Uani 1 1 d .
H18A H -0.0127 0.6321 0.1338 0.035 Uiso 1 1 calc R
H18B H 0.0010 0.6585 0.0752 0.035 Uiso 1 1 calc R
H18C H 0.0198 0.7253 0.1391 0.035 Uiso 1 1 calc R
C19 C 0.16119(10) 0.61255(16) 0.42855(12) 0.0152(5) Uani 1 1 d .
C20 C 0.16000(10) 0.56737(16) 0.48241(12) 0.0170(5) Uani 1 1 d .
C21 C 0.14356(11) 0.61551(17) 0.52279(13) 0.0213(5) Uani 1 1 d .
H21A H 0.1421 0.5859 0.5589 0.026 Uiso 1 1 calc R
C22 C 0.12933(11) 0.70573(17) 0.51081(13) 0.0216(5) Uani 1 1 d .
H22A H 0.1189 0.7375 0.5392 0.026 Uiso 1 1 calc R
C23 C 0.13031(11) 0.74959(16) 0.45754(13) 0.0195(5) Uani 1 1 d .
H23A H 0.1201 0.8113 0.4494 0.023 Uiso 1 1 calc R
C24 C 0.14609(10) 0.70410(16) 0.41579(12) 0.0171(5) Uani 1 1 d .
C25 C 0.17582(11) 0.46869(17) 0.49789(13) 0.0199(5) Uani 1 1 d .
H25A H 0.1890 0.4465 0.4665 0.024 Uiso 1 1 calc R
C26 C 0.11864(12) 0.41612(17) 0.48089(14) 0.0244(6) Uani 1 1 d .
H26A H 0.0860 0.4245 0.4312 0.037 Uiso 1 1 calc R
H26B H 0.1044 0.4377 0.5105 0.037 Uiso 1 1 calc R
H26C H 0.1289 0.3525 0.4902 0.037 Uiso 1 1 calc R
C27 C 0.22852(12) 0.45197(18) 0.57446(14) 0.0279(6) Uani 1 1 d .
H27A H 0.2657 0.4829 0.5840 0.042 Uiso 1 1 calc R
H27B H 0.2367 0.3877 0.5821 0.042 Uiso 1 1 calc R
H27C H 0.2169 0.4746 0.6062 0.042 Uiso 1 1 calc R
C28 C 0.14563(11) 0.75494(16) 0.35693(12) 0.0179(5) Uani 1 1 d .
H28A H 0.1628 0.7144 0.3367 0.021 Uiso 1 1 calc R
C29 C 0.07957(12) 0.77804(18) 0.29812(13) 0.0244(6) Uani 1 1 d .
H29A H 0.0553 0.7230 0.2800 0.037 Uiso 1 1 calc R
H29B H 0.0797 0.8085 0.2599 0.037 Uiso 1 1 calc R
H29C H 0.0614 0.8173 0.3167 0.037 Uiso 1 1 calc R
C30 C 0.18588(12) 0.83862(18) 0.38419(14) 0.0267(6) Uani 1 1 d .
H30A H 0.2278 0.8221 0.4222 0.040 Uiso 1 1 calc R
H30B H 0.1688 0.8809 0.4022 0.040 Uiso 1 1 calc R
H30C H 0.1869 0.8665 0.3457 0.040 Uiso 1 1 calc R
C31 C 0.06280(11) 0.30473(15) 0.32166(12) 0.0174(5) Uani 1 1 d .
C32 C 0.12715(11) 0.29774(16) 0.35917(13) 0.0200(5) Uani 1 1 d .
H32A H 0.1496 0.3367 0.3481 0.024 Uiso 1 1 calc R
C33 C 0.15834(12) 0.23508(18) 0.41192(13) 0.0249(6) Uani 1 1 d .
H33A H 0.2020 0.2320 0.4365 0.030 Uiso 1 1 calc R
C34 C 0.12733(13) 0.17600(18) 0.42998(14) 0.0276(6) Uani 1 1 d .
C35 C 0.06374(12) 0.18274(17) 0.39228(14) 0.0252(6) Uani 1 1 d .
H35A H 0.0415 0.1435 0.4036 0.030 Uiso 1 1 calc R
C36 C 0.03127(11) 0.24460(16) 0.33865(13) 0.0205(5) Uani 1 1 d .
H36A H -0.0124 0.2462 0.3134 0.025 Uiso 1 1 calc R
C37 C 0.16181(15) 0.1075(2) 0.48826(17) 0.0432(8) Uani 1 1 d .
H37A H 0.1324 0.0725 0.4931 0.065 Uiso 1 1 calc R
H37B H 0.1904 0.1382 0.5327 0.065 Uiso 1 1 calc R
H37C H 0.1850 0.0676 0.4766 0.065 Uiso 1 1 calc R
C38 C 0.0666(2) 0.0131(3) 0.6910(3) 0.0684(14) Uani 1 1 d .
C39 C 0.00581(17) 0.0403(3) 0.6296(3) 0.0663(14) Uani 1 1 d .
H39A H -0.0304 0.0300 0.6294 0.080 Uiso 1 1 calc R
C40 C 0.0020(3) 0.0798(3) 0.5740(3) 0.0853(15) Uani 1 1 d .
H40A H -0.0380 0.0938 0.5348 0.102 Uiso 1 1 calc R
C41 C 0.0492(3) 0.1008(3) 0.5691(3) 0.0940(18) Uani 1 1 d .
H41A H 0.0448 0.1298 0.5293 0.113 Uiso 1 1 calc R
C42 C 0.10872(19) 0.0749(3) 0.6310(3) 0.0683(13) Uani 1 1 d .
H42A H 0.1445 0.0886 0.6310 0.082 Uiso 1 1 calc R
C43 C 0.11688(18) 0.0328(3) 0.6886(3) 0.0627(12) Uani 1 1 d .
H43A H 0.1570 0.0172 0.7266 0.075 Uiso 1 1 calc R
C44 C 0.0750(2) -0.0278(3) 0.7517(3) 0.0796(15) Uani 1 1 d .
H44A H 0.1174 -0.0494 0.7816 0.119 Uiso 1 1 calc R
H44B H 0.0465 -0.0782 0.7378 0.119 Uiso 1 1 calc R
H44C H 0.0668 0.0158 0.7780 0.119 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'
N N 0.0061 0.0033 '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
N1 Ga1 C1 119.20(9) . .
N1 Ga1 Ga1 74.19(6) . 2
C1 Ga1 Ga1 166.61(7) . 2
C31 N1 N1 115.24(18) . 2
C31 N1 Ga1 126.24(15) . .
N1 N1 Ga1 105.64(6) 2 .
C6 C1 C2 119.0(2) . .
C6 C1 Ga1 126.67(17) . .
C2 C1 Ga1 114.28(17) . .
C3 C2 C1 120.2(2) . .
C3 C2 C7 122.0(2) . .
C1 C2 C7 117.7(2) . .
C4 C3 C2 120.4(2) . .
C4 C3 H3A 119.8 . .
C2 C3 H3A 119.8 . .
C3 C4 C5 119.9(2) . .
C3 C4 H4A 120.1 . .
C5 C4 H4A 120.1 . .
C4 C5 C6 120.8(2) . .
C4 C5 H5A 119.6 . .
C6 C5 H5A 119.6 . .
C5 C6 C1 119.7(2) . .
C5 C6 C19 116.3(2) . .
C1 C6 C19 123.7(2) . .
C8 C7 C12 120.3(2) . .
C8 C7 C2 121.8(2) . .
C12 C7 C2 117.9(2) . .
C9 C8 C7 118.4(2) . .
C9 C8 C13 119.3(2) . .
C7 C8 C13 122.2(2) . .
C10 C9 C8 121.6(2) . .
C10 C9 H9A 119.2 . .
C8 C9 H9A 119.2 . .
C9 C10 C11 120.0(2) . .
C9 C10 H10A 120.0 . .
C11 C10 H10A 120.0 . .
C10 C11 C12 120.8(2) . .
C10 C11 H11A 119.6 . .
C12 C11 H11A 119.6 . .
C11 C12 C7 118.7(2) . .
C11 C12 C16 119.9(2) . .
C7 C12 C16 121.1(2) . .
C8 C13 C14 113.5(2) . .
C8 C13 C15 109.2(2) . .
C14 C13 C15 109.4(2) . .
C8 C13 H13A 108.2 . .
C14 C13 H13A 108.2 . .
C15 C13 H13A 108.2 . .
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 . .
C18 C16 C12 114.2(2) . .
C18 C16 C17 109.5(2) . .
C12 C16 C17 109.5(2) . .
C18 C16 H16A 107.8 . .
C12 C16 H16A 107.8 . .
C17 C16 H16A 107.8 . .
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 120.6(2) . .
C20 C19 C6 122.2(2) . .
C24 C19 C6 117.0(2) . .
C21 C20 C19 118.5(2) . .
C21 C20 C25 119.2(2) . .
C19 C20 C25 122.3(2) . .
C22 C21 C20 121.1(2) . .
C22 C21 H21A 119.5 . .
C20 C21 H21A 119.5 . .
C23 C22 C21 120.1(2) . .
C23 C22 H22A 119.9 . .
C21 C22 H22A 119.9 . .
C22 C23 C24 120.7(2) . .
C22 C23 H23A 119.6 . .
C24 C23 H23A 119.6 . .
C23 C24 C19 119.1(2) . .
C23 C24 C28 118.9(2) . .
C19 C24 C28 122.1(2) . .
C20 C25 C26 109.8(2) . .
C20 C25 C27 112.4(2) . .
C26 C25 C27 110.1(2) . .
C20 C25 H25A 108.2 . .
C26 C25 H25A 108.2 . .
C27 C25 H25A 108.2 . .
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 . .
C30 C28 C29 111.1(2) . .
C30 C28 C24 112.1(2) . .
C29 C28 C24 110.2(2) . .
C30 C28 H28A 107.8 . .
C29 C28 H28A 107.8 . .
C24 C28 H28A 107.8 . .
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 . .
C32 C31 C36 117.6(2) . .
C32 C31 N1 118.6(2) . .
C36 C31 N1 123.8(2) . .
C33 C32 C31 121.0(2) . .
C33 C32 H32A 119.5 . .
C31 C32 H32A 119.5 . .
C32 C33 C34 121.6(2) . .
C32 C33 H33A 119.2 . .
C34 C33 H33A 119.2 . .
C35 C34 C33 117.0(2) . .
C35 C34 C37 121.5(3) . .
C33 C34 C37 121.5(3) . .
C34 C35 C36 122.5(2) . .
C34 C35 H35A 118.7 . .
C36 C35 H35A 118.7 . .
C35 C36 C31 120.2(2) . .
C35 C36 H36A 119.9 . .
C31 C36 H36A 119.9 . .
C34 C37 H37A 109.5 . .
C34 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C34 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C43 C38 C44 119.5(5) . .
C43 C38 C39 116.8(5) . .
C44 C38 C39 123.7(4) . .
C40 C39 C38 119.9(4) . .
C40 C39 H39A 120.1 . .
C38 C39 H39A 120.1 . .
C41 C40 C39 125.7(6) . .
C41 C40 H40A 117.2 . .
C39 C40 H40A 117.2 . .
C40 C41 C42 113.3(6) . .
C40 C41 H41A 123.4 . .
C42 C41 H41A 123.4 . .
C43 C42 C41 125.1(5) . .
C43 C42 H42A 117.4 . .
C41 C42 H42A 117.4 . .
C42 C43 C38 119.2(5) . .
C42 C43 H43A 120.4 . .
C38 C43 H43A 120.4 . .
C38 C44 H44A 109.5 . .
C38 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C38 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ga1 N1 1.909(2) .
Ga1 C1 1.999(2) .
Ga1 Ga1 2.4964(8) 2
N1 C31 1.405(3) .
N1 N1 1.460(4) 2
C1 C6 1.401(3) .
C1 C2 1.417(3) .
C2 C3 1.393(3) .
C2 C7 1.501(3) .
C3 C4 1.386(3) .
C3 H3A 0.9500 .
C4 C5 1.391(3) .
C4 H4A 0.9500 .
C5 C6 1.401(3) .
C5 H5A 0.9500 .
C6 C19 1.507(3) .
C7 C8 1.416(3) .
C7 C12 1.420(3) .
C8 C9 1.391(3) .
C8 C13 1.527(3) .
C9 C10 1.383(4) .
C9 H9A 0.9500 .
C10 C11 1.389(4) .
C10 H10A 0.9500 .
C11 C12 1.397(4) .
C11 H11A 0.9500 .
C12 C16 1.533(3) .
C13 C14 1.535(4) .
C13 C15 1.544(4) .
C13 H13A 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 1.529(3) .
C16 C17 1.541(4) .
C16 H16A 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 1.410(3) .
C19 C24 1.411(3) .
C20 C21 1.401(3) .
C20 C25 1.522(3) .
C21 C22 1.387(4) .
C21 H21A 0.9500 .
C22 C23 1.387(4) .
C22 H22A 0.9500 .
C23 C24 1.396(3) .
C23 H23A 0.9500 .
C24 C28 1.530(3) .
C25 C26 1.530(3) .
C25 C27 1.533(3) .
C25 H25A 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 C30 1.528(3) .
C28 C29 1.528(3) .
C28 H28A 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 C32 1.403(3) .
C31 C36 1.403(3) .
C32 C33 1.381(4) .
C32 H32A 0.9500 .
C33 C34 1.398(4) .
C33 H33A 0.9500 .
C34 C35 1.385(4) .
C34 C37 1.518(4) .
C35 C36 1.388(4) .
C35 H35A 0.9500 .
C36 H36A 0.9500 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 C43 1.366(5) .
C38 C44 1.411(7) .
C38 C39 1.481(7) .
C39 C40 1.345(7) .
C39 H39A 0.9500 .
C40 C41 1.327(7) .
C40 H40A 0.9500 .
C41 C42 1.461(7) .
C41 H41A 0.9500 .
C42 C43 1.357(7) .
C42 H42A 0.9500 .
C43 H43A 0.9500 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 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_1
_geom_torsion_site_symmetry_4
C1 Ga1 N1 C31 45.9(2) . .
Ga1 Ga1 N1 C31 -134.5(2) 2 .
C1 Ga1 N1 N1 -175.10(17) . 2
Ga1 Ga1 N1 N1 4.48(17) 2 2
N1 Ga1 C1 C6 -113.8(2) . .
Ga1 Ga1 C1 C6 68.0(4) 2 .
N1 Ga1 C1 C2 68.18(19) . .
Ga1 Ga1 C1 C2 -110.1(3) 2 .
C6 C1 C2 C3 2.4(3) . .
Ga1 C1 C2 C3 -179.33(17) . .
C6 C1 C2 C7 -174.2(2) . .
Ga1 C1 C2 C7 4.0(3) . .
C1 C2 C3 C4 0.7(3) . .
C7 C2 C3 C4 177.2(2) . .
C2 C3 C4 C5 -2.2(4) . .
C3 C4 C5 C6 0.5(4) . .
C4 C5 C6 C1 2.6(3) . .
C4 C5 C6 C19 -170.5(2) . .
C2 C1 C6 C5 -4.1(3) . .
Ga1 C1 C6 C5 177.95(17) . .
C2 C1 C6 C19 168.5(2) . .
Ga1 C1 C6 C19 -9.5(3) . .
C3 C2 C7 C8 71.1(3) . .
C1 C2 C7 C8 -112.3(2) . .
C3 C2 C7 C12 -111.8(3) . .
C1 C2 C7 C12 64.8(3) . .
C12 C7 C8 C9 -6.4(3) . .
C2 C7 C8 C9 170.7(2) . .
C12 C7 C8 C13 170.3(2) . .
C2 C7 C8 C13 -12.6(3) . .
C7 C8 C9 C10 2.8(3) . .
C13 C8 C9 C10 -174.0(2) . .
C8 C9 C10 C11 2.1(4) . .
C9 C10 C11 C12 -3.5(4) . .
C10 C11 C12 C7 -0.1(4) . .
C10 C11 C12 C16 172.9(2) . .
C8 C7 C12 C11 5.1(3) . .
C2 C7 C12 C11 -172.2(2) . .
C8 C7 C12 C16 -167.8(2) . .
C2 C7 C12 C16 14.9(3) . .
C9 C8 C13 C14 -40.8(3) . .
C7 C8 C13 C14 142.5(2) . .
C9 C8 C13 C15 81.5(3) . .
C7 C8 C13 C15 -95.2(3) . .
C11 C12 C16 C18 28.9(3) . .
C7 C12 C16 C18 -158.3(2) . .
C11 C12 C16 C17 -94.3(3) . .
C7 C12 C16 C17 78.5(3) . .
C5 C6 C19 C20 -94.1(3) . .
C1 C6 C19 C20 93.1(3) . .
C5 C6 C19 C24 80.2(3) . .
C1 C6 C19 C24 -92.7(3) . .
C24 C19 C20 C21 0.0(3) . .
C6 C19 C20 C21 174.0(2) . .
C24 C19 C20 C25 179.9(2) . .
C6 C19 C20 C25 -6.1(3) . .
C19 C20 C21 C22 -0.6(3) . .
C25 C20 C21 C22 179.4(2) . .
C20 C21 C22 C23 1.0(4) . .
C21 C22 C23 C24 -0.6(4) . .
C22 C23 C24 C19 -0.1(3) . .
C22 C23 C24 C28 179.1(2) . .
C20 C19 C24 C23 0.4(3) . .
C6 C19 C24 C23 -173.9(2) . .
C20 C19 C24 C28 -178.8(2) . .
C6 C19 C24 C28 6.9(3) . .
C21 C20 C25 C26 65.9(3) . .
C19 C20 C25 C26 -114.0(2) . .
C21 C20 C25 C27 -56.9(3) . .
C19 C20 C25 C27 123.2(2) . .
C23 C24 C28 C30 54.8(3) . .
C19 C24 C28 C30 -126.0(2) . .
C23 C24 C28 C29 -69.4(3) . .
C19 C24 C28 C29 109.7(2) . .
N1 N1 C31 C32 177.0(2) 2 .
Ga1 N1 C31 C32 -47.3(3) . .
N1 N1 C31 C36 -2.9(3) 2 .
Ga1 N1 C31 C36 132.7(2) . .
C36 C31 C32 C33 -1.3(4) . .
N1 C31 C32 C33 178.7(2) . .
C31 C32 C33 C34 0.2(4) . .
C32 C33 C34 C35 0.4(4) . .
C32 C33 C34 C37 -179.7(3) . .
C33 C34 C35 C36 0.2(4) . .
C37 C34 C35 C36 -179.7(3) . .
C34 C35 C36 C31 -1.3(4) . .
C32 C31 C36 C35 1.9(3) . .
N1 C31 C36 C35 -178.2(2) . .
C43 C38 C39 C40 2.1(5) . .
C44 C38 C39 C40 179.4(4) . .
C38 C39 C40 C41 -2.7(6) . .
C39 C40 C41 C42 1.3(6) . .
C40 C41 C42 C43 0.6(6) . .
C41 C42 C43 C38 -1.0(6) . .
C44 C38 C43 C42 -177.8(4) . .
C39 C38 C43 C42 -0.3(5) . .
