#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:36:24 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179253 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/73/4317337.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_4317337
loop_
_publ_author_name
'Zhan Zhang'
'David Dolphin'
_publ_contact_author_address
;Department of Chemistry,

University of British Columbia,

2036 Main Mall, Vancouver

BC V6T1Z1 Canada

;
_publ_contact_author_email       david.dolphin@ubc.ca
_publ_contact_author_fax         1-604-822-9678
_publ_contact_author_name        'David Dolphin'
_publ_contact_author_phone       1-604-822-4571
_publ_section_title
;
 Synthesis of Triple-Stranded Complexes Using Bis(dipyrromethene) Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11550
_journal_page_last               11555
_journal_paper_doi               10.1021/ic101694z
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C94 H67 Cl3 Ga2 N12'
_chemical_formula_weight         1610.39
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.547(3)
_cell_angle_beta                 111.629(3)
_cell_angle_gamma                102.436(3)
_cell_formula_units_Z            2
_cell_length_a                   16.633(3)
_cell_length_b                   16.850(3)
_cell_length_c                   17.557(3)
_cell_measurement_reflns_used    9938
_cell_measurement_temperature    90.0(1)
_cell_measurement_theta_max      25.15
_cell_measurement_theta_min      2.42
_cell_volume                     3933.0(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      90.0(1)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX DUO'
_diffrn_measurement_method       'area detector'
_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  0.0800
_diffrn_reflns_av_sigmaI/netI    0.0621
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            77218
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.43
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    0.844
_exptl_absorpt_correction_T_max  0.959
_exptl_absorpt_correction_T_min  0.786
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'twinabs 2008/4'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.360
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1656
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.247
_refine_diff_density_min         -0.778
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1002
_refine_ls_number_reflns         14227
_refine_ls_number_restraints     1392
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0644
_refine_ls_shift/su_max          0.065
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0912P)²+7.3200P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1621
_refine_ls_wR_factor_ref         0.1819
_reflns_number_gt                10447
_reflns_number_total             14227
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101694z_si_001_2.cif
_cod_data_source_block           Ga-Helicate
_cod_original_cell_volume        3932.9(12)
_cod_database_code               4317337
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7983(4) 0.1761(4) 0.8403(4) 0.0249(13) Uani 1 1 d U . .
H1 H 0.7408 0.1810 0.8090 0.030 Uiso 1 1 calc R . .
C2 C 0.8185(4) 0.1476(4) 0.9094(4) 0.0293(15) Uani 1 1 d U . .
H2 H 0.7776 0.1294 0.9317 0.035 Uiso 1 1 calc R . .
C3 C 0.9089(4) 0.1514(4) 0.9383(4) 0.0262(13) Uani 1 1 d U . .
H3 H 0.9422 0.1362 0.9843 0.031 Uiso 1 1 calc R . .
C4 C 0.9431(4) 0.1826(4) 0.8855(4) 0.0227(13) Uani 1 1 d U . .
C5 C 1.0349(4) 0.1998(4) 0.8975(4) 0.0217(12) Uani 1 1 d U . .
C6 C 1.0683(4) 0.2317(4) 0.8463(4) 0.0210(12) Uani 1 1 d U . .
C7 C 1.1607(5) 0.2502(4) 0.8554(4) 0.0277(13) Uani 1 1 d U . .
H7 H 1.2125 0.2479 0.9004 0.033 Uiso 1 1 calc R . .
C8 C 1.1600(5) 0.2721(4) 0.7861(4) 0.0283(14) Uani 1 1 d U . .
C9 C 1.0691(4) 0.2683(4) 0.7376(4) 0.0256(13) Uani 1 1 d U . .
H9 H 1.0495 0.2807 0.6865 0.031 Uiso 1 1 calc R . .
C10 C 1.2355(5) 0.2858(5) 0.7596(5) 0.0356(14) Uani 1 1 d U . .
H10A H 1.2211 0.2266 0.7076 0.043 Uiso 1 1 calc R . .
H10B H 1.2959 0.3012 0.8131 0.043 Uiso 1 1 calc R . .
C11 C 1.2569(5) 0.4511(4) 0.7800(4) 0.0315(14) Uani 1 1 d U . .
H11 H 1.2506 0.4721 0.8345 0.038 Uiso 1 1 calc R . .
C12 C 1.2483(4) 0.3604(4) 0.7304(4) 0.0285(13) Uani 1 1 d U . .
C13 C 1.2599(4) 0.3580(4) 0.6565(4) 0.0266(13) Uani 1 1 d U . .
H13 H 1.2557 0.3055 0.6087 0.032 Uiso 1 1 calc R . .
C14 C 1.2793(4) 0.4473(4) 0.6636(4) 0.0220(12) Uani 1 1 d U . .
C15 C 1.3053(4) 0.4808(4) 0.6107(4) 0.0180(11) Uani 1 1 d U . .
C16 C 1.3260(4) 0.5704(4) 0.6217(4) 0.0204(12) Uani 1 1 d U . .
C17 C 1.3580(5) 0.6068(4) 0.5718(4) 0.0318(15) Uani 1 1 d U . .
H17 H 1.3725 0.5751 0.5253 0.038 Uiso 1 1 calc R . .
C18 C 1.3643(6) 0.6960(4) 0.6026(5) 0.046(2) Uani 1 1 d U . .
H18 H 1.3831 0.7376 0.5814 0.055 Uiso 1 1 calc R . .
C19 C 1.3375(5) 0.7131(4) 0.6720(4) 0.0354(16) Uani 1 1 d U . .
H19 H 1.3355 0.7702 0.7057 0.042 Uiso 1 1 calc R . .
C20 C 1.0999(4) 0.1795(4) 0.9663(4) 0.0235(13) Uani 1 1 d U . .
C21 C 1.0888(6) 0.0888(4) 0.9440(5) 0.0420(17) Uani 1 1 d U . .
H21 H 1.0412 0.0399 0.8845 0.050 Uiso 1 1 calc R . .
C22 C 1.1487(6) 0.0693(5) 1.0105(5) 0.0468(19) Uani 1 1 d U . .
H22 H 1.1405 0.0071 0.9950 0.056 Uiso 1 1 calc R . .
C23 C 1.2169(5) 0.1375(5) 1.0949(5) 0.0409(16) Uani 1 1 d U . .
H23 H 1.2571 0.1233 1.1382 0.049 Uiso 1 1 calc R . .
C24 C 1.2285(4) 0.2282(5) 1.1188(5) 0.0387(16) Uani 1 1 d U . .
H24 H 1.2751 0.2765 1.1791 0.046 Uiso 1 1 calc R . .
C25 C 1.1703(4) 0.2476(4) 1.0528(4) 0.0338(14) Uani 1 1 d U . .
H25 H 1.1800 0.3101 1.0685 0.041 Uiso 1 1 calc R . .
C26 C 1.3142(4) 0.4141(4) 0.5335(4) 0.0217(12) Uani 1 1 d U . .
C27 C 1.2589(4) 0.3981(4) 0.4406(4) 0.0347(14) Uani 1 1 d U . .
H27 H 1.2167 0.4279 0.4290 0.042 Uiso 1 1 calc R . .
C28 C 1.2665(5) 0.3396(4) 0.3675(4) 0.0387(15) Uani 1 1 d U . .
H28 H 1.2310 0.3302 0.3062 0.046 Uiso 1 1 calc R . .
C29 C 1.3268(5) 0.2950(4) 0.3850(5) 0.0434(17) Uani 1 1 d U . .
H29 H 1.3318 0.2541 0.3351 0.052 Uiso 1 1 calc R . .
C30 C 1.3788(5) 0.3092(5) 0.4724(5) 0.0428(17) Uani 1 1 d U . .
H30 H 1.4209 0.2793 0.4833 0.051 Uiso 1 1 calc R . .
C31 C 1.3710(4) 0.3682(4) 0.5479(4) 0.0337(14) Uani 1 1 d U . .
H31 H 1.4057 0.3754 0.6084 0.040 Uiso 1 1 calc R . .
C32 C 0.8144(4) 0.0176(4) 0.6520(4) 0.0283(14) Uani 1 1 d U . .
H32 H 0.8147 0.0235 0.7080 0.034 Uiso 1 1 calc R . .
C33 C 0.7913(5) -0.0656(4) 0.5780(4) 0.0316(15) Uani 1 1 d U . .
H33 H 0.7723 -0.1250 0.5737 0.038 Uiso 1 1 calc R . .
C34 C 0.8014(5) -0.0448(4) 0.5121(4) 0.0318(14) Uani 1 1 d U . .
H34 H 0.7915 -0.0875 0.4537 0.038 Uiso 1 1 calc R . .
C35 C 0.8291(4) 0.0517(4) 0.5469(4) 0.0231(12) Uani 1 1 d U . .
C36 C 0.8415(4) 0.1022(4) 0.4998(4) 0.0250(13) Uani 1 1 d U . .
C37 C 0.8607(4) 0.1946(4) 0.5304(4) 0.0208(12) Uani 1 1 d U . .
C38 C 0.8703(4) 0.2470(4) 0.4829(4) 0.0227(13) Uani 1 1 d U . .
H38 H 0.8649 0.2236 0.4227 0.027 Uiso 1 1 calc R . .
C39 C 0.8887(4) 0.3363(4) 0.5387(4) 0.0202(12) Uani 1 1 d U . .
C40 C 0.8941(4) 0.3386(4) 0.6221(4) 0.0257(13) Uani 1 1 d U . .
H40 H 0.9094 0.3934 0.6750 0.031 Uiso 1 1 calc R . .
C41 C 0.9015(4) 0.4160(4) 0.5173(4) 0.0228(13) Uani 1 1 d U . .
H41A H 0.8453 0.4311 0.5061 0.027 Uiso 1 1 calc R . .
H41B H 0.9062 0.3970 0.4595 0.027 Uiso 1 1 calc R . .
C42 C 1.0825(4) 0.5081(4) 0.6367(4) 0.0216(12) Uani 1 1 d U . .
H42 H 1.0995 0.4567 0.6208 0.026 Uiso 1 1 calc R . .
C43 C 0.9885(4) 0.5016(4) 0.5951(3) 0.0202(12) Uani 1 1 d U . .
C44 C 0.9943(4) 0.5893(4) 0.6374(3) 0.0194(12) Uani 1 1 d U . .
H44 H 0.9428 0.6078 0.6253 0.023 Uiso 1 1 calc R . .
C45 C 1.0900(4) 0.6484(4) 0.7023(4) 0.0192(12) Uani 1 1 d U . .
C46 C 1.1273(4) 0.7424(4) 0.7617(4) 0.0207(12) Uani 1 1 d U . .
C47 C 1.2228(4) 0.8013(4) 0.8251(4) 0.0229(12) Uani 1 1 d U . .
C48 C 1.2598(5) 0.8973(4) 0.8846(4) 0.0334(14) Uani 1 1 d U . .
H48 H 1.2247 0.9347 0.8899 0.040 Uiso 1 1 calc R . .
C49 C 1.3551(5) 0.9261(4) 0.9330(5) 0.0409(17) Uani 1 1 d U . .
H49 H 1.3991 0.9871 0.9791 0.049 Uiso 1 1 calc R . .
C50 C 1.3755(4) 0.8480(4) 0.9013(4) 0.0313(14) Uani 1 1 d U . .
H50 H 1.4372 0.8487 0.9227 0.038 Uiso 1 1 calc R . .
C51 C 0.8334(4) 0.0494(4) 0.4065(4) 0.0255(13) Uani 1 1 d U . .
C52 C 0.9036(5) 0.0176(4) 0.4006(5) 0.0385(16) Uani 1 1 d U . .
H52 H 0.9560 0.0292 0.4556 0.046 Uiso 1 1 calc R . .
C53 C 0.8958(7) -0.0313(5) 0.3133(6) 0.055(2) Uani 1 1 d U . .
H53 H 0.9427 -0.0529 0.3080 0.066 Uiso 1 1 calc R . .
C54 C 0.8173(8) -0.0475(5) 0.2345(6) 0.064(3) Uani 1 1 d U . .
H54 H 0.8112 -0.0814 0.1751 0.077 Uiso 1 1 calc R . .
C55 C 0.7501(6) -0.0172(5) 0.2390(5) 0.053(2) Uani 1 1 d U . .
H55 H 0.6978 -0.0294 0.1836 0.063 Uiso 1 1 calc R . .
C56 C 0.7577(5) 0.0330(4) 0.3264(4) 0.0344(14) Uani 1 1 d U . .
H56 H 0.7109 0.0554 0.3303 0.041 Uiso 1 1 calc R . .
C57 C 1.0563(4) 0.7855(4) 0.7599(4) 0.0251(13) Uani 1 1 d U . .
C58 C 1.0219(5) 0.7918(6) 0.8207(4) 0.0466(19) Uani 1 1 d U . .
H58 H 1.0427 0.7692 0.8638 0.056 Uiso 1 1 calc R . .
C59 C 0.9558(5) 0.8317(6) 0.8194(5) 0.056(2) Uani 1 1 d U . .
H59 H 0.9334 0.8376 0.8629 0.068 Uiso 1 1 calc R . .
C60 C 0.9234(5) 0.8620(4) 0.7561(5) 0.0401(16) Uani 1 1 d U . .
H60 H 0.8769 0.8868 0.7540 0.048 Uiso 1 1 calc R . .
C61 C 0.9572(5) 0.8569(5) 0.6971(7) 0.056(2) Uani 1 1 d U . .
H61 H 0.9353 0.8787 0.6536 0.067 Uiso 1 1 calc R . .
C62 C 1.0247(5) 0.8193(5) 0.6993(6) 0.0491(19) Uani 1 1 d U . .
H62 H 1.0491 0.8171 0.6579 0.059 Uiso 1 1 calc R . .
C63 C 0.6597(5) 0.1289(5) 0.6130(5) 0.0448(19) Uani 1 1 d U . .
H63 H 0.6634 0.0708 0.5877 0.054 Uiso 1 1 calc R . .
C64 C 0.5750(6) 0.1411(5) 0.5940(6) 0.067(3) Uani 1 1 d U . .
H64 H 0.5134 0.0937 0.5564 0.080 Uiso 1 1 calc R . .
C65 C 0.5977(5) 0.2341(5) 0.6399(6) 0.058(2) Uani 1 1 d U . .
H65 H 0.5553 0.2638 0.6401 0.070 Uiso 1 1 calc R . .
C66 C 0.6982(5) 0.2772(5) 0.6872(4) 0.0353(16) Uani 1 1 d U . .
C67 C 0.7548(5) 0.3727(4) 0.7468(4) 0.0309(14) Uani 1 1 d U . .
C68 C 0.8535(4) 0.4136(4) 0.8022(4) 0.0234(13) Uani 1 1 d U . .
C69 C 0.9116(4) 0.5091(4) 0.8648(4) 0.0256(14) Uani 1 1 d U . .
H69 H 0.8909 0.5583 0.8749 0.031 Uiso 1 1 calc R . .
C70 C 1.0020(4) 0.5170(4) 0.9074(4) 0.0205(12) Uani 1 1 d U . .
C71 C 0.9997(4) 0.4253(4) 0.8692(3) 0.0207(12) Uani 1 1 d U . .
H71 H 1.0533 0.4104 0.8860 0.025 Uiso 1 1 calc R . .
C72 C 1.0892(4) 0.6034(4) 0.9844(4) 0.0249(13) Uani 1 1 d U . .
H72A H 1.0724 0.6576 0.9929 0.030 Uiso 1 1 calc R . .
H72B H 1.1084 0.5999 1.0432 0.030 Uiso 1 1 calc R . .
C73 C 1.1676(4) 0.6076(4) 0.8815(4) 0.0203(12) Uani 1 1 d U . .
H73 H 1.1109 0.5853 0.8254 0.024 Uiso 1 1 calc R . .
C74 C 1.1722(4) 0.6189(4) 0.9674(4) 0.0222(13) Uani 1 1 d U . .
C75 C 1.2658(4) 0.6507(4) 1.0294(4) 0.0282(14) Uani 1 1 d U . .
H75 H 1.2915 0.6635 1.0926 0.034 Uiso 1 1 calc R . .
C76 C 1.3180(4) 0.6613(4) 0.9819(4) 0.0265(13) Uani 1 1 d U . .
C77 C 1.4167(4) 0.6940(5) 1.0188(4) 0.0363(15) Uani 1 1 d U . .
C78 C 1.4679(4) 0.7069(5) 0.9728(4) 0.0337(15) Uani 1 1 d U . .
C79 C 1.5681(5) 0.7429(6) 1.0134(5) 0.0467(18) Uani 1 1 d U . .
H79 H 1.6126 0.7628 1.0760 0.056 Uiso 1 1 calc R . .
C80 C 1.5871(5) 0.7429(6) 0.9430(5) 0.0449(18) Uani 1 1 d U . .
H80 H 1.6474 0.7628 0.9475 0.054 Uiso 1 1 calc R . .
C81 C 1.4996(4) 0.7076(5) 0.8638(4) 0.0322(14) Uani 1 1 d U . .
H81 H 1.4926 0.7009 0.8055 0.039 Uiso 1 1 calc R . .
C82 C 0.7017(5) 0.4348(4) 0.7503(4) 0.0375(16) Uani 1 1 d U . .
C83 C 0.6953(5) 0.4808(4) 0.8294(6) 0.0438(18) Uani 1 1 d U . .
H83 H 0.7264 0.4754 0.8837 0.053 Uiso 1 1 calc R . .
C84 C 0.6425(6) 0.5353(5) 0.8284(7) 0.056(2) Uani 1 1 d U . .
H84 H 0.6381 0.5673 0.8823 0.067 Uiso 1 1 calc R . .
C85 C 0.5978(5) 0.5427(5) 0.7509(6) 0.051(2) Uani 1 1 d U . .
H85 H 0.5617 0.5794 0.7508 0.061 Uiso 1 1 calc R . .
C86 C 0.6038(6) 0.4982(5) 0.6727(6) 0.057(2) Uani 1 1 d U . .
H86 H 0.5735 0.5050 0.6192 0.069 Uiso 1 1 calc R . .
C87 C 0.6548(5) 0.4430(5) 0.6726(5) 0.0472(18) Uani 1 1 d U . .
H87 H 0.6573 0.4103 0.6177 0.057 Uiso 1 1 calc R . .
C88 C 1.4748(4) 0.7191(5) 1.1198(4) 0.0352(15) Uani 1 1 d U . .
C89 C 1.4811(5) 0.6484(5) 1.1398(5) 0.0483(19) Uani 1 1 d U . .
H89 H 1.4489 0.5865 1.0911 0.058 Uiso 1 1 calc R . .
C90 C 1.5369(5) 0.6676(5) 1.2353(5) 0.051(2) Uani 1 1 d U . .
H90 H 1.5412 0.6190 1.2500 0.061 Uiso 1 1 calc R . .
C91 C 1.5830(5) 0.7579(5) 1.3034(5) 0.0418(16) Uani 1 1 d U . .
H91 H 1.6186 0.7716 1.3662 0.050 Uiso 1 1 calc R . .
C92 C 1.5790(5) 0.8310(5) 1.2827(5) 0.0467(17) Uani 1 1 d U . .
H92 H 1.6123 0.8932 1.3308 0.056 Uiso 1 1 calc R . .
C93 C 1.5261(5) 0.8111(5) 1.1915(5) 0.0471(18) Uani 1 1 d U . .
H93 H 1.5243 0.8602 1.1770 0.057 Uiso 1 1 calc R . .
C94 C 0.5483(6) 0.9752(10) 0.7132(5) 0.096(7) Uani 0.589(5) 1 d PDU . .
H94 H 0.5789 1.0399 0.7263 0.115 Uiso 0.589(5) 1 calc PR . .
N1 N 0.8723(3) 0.1954(3) 0.8247(3) 0.0243(11) Uani 1 1 d U . .
N2 N 1.0129(3) 0.2447(3) 0.7726(3) 0.0218(11) Uani 1 1 d U . .
N3 N 1.2746(4) 0.5036(3) 0.7422(3) 0.0264(11) Uani 1 1 d U . .
N4 N 1.3152(3) 0.6404(3) 0.6848(3) 0.0218(10) Uani 1 1 d U . .
N5 N 0.8367(4) 0.0897(3) 0.6348(3) 0.0240(11) Uani 1 1 d U . .
N6 N 0.8755(3) 0.2562(3) 0.6185(3) 0.0232(11) Uani 1 1 d U . .
N7 N 1.1447(3) 0.5947(3) 0.7008(3) 0.0189(10) Uani 1 1 d U . .
N8 N 1.2972(3) 0.7728(3) 0.8374(3) 0.0236(11) Uani 1 1 d U . .
N9 N 0.7342(4) 0.2086(3) 0.6706(3) 0.0262(11) Uani 1 1 d U . .
N10 N 0.9113(3) 0.3639(3) 0.8065(3) 0.0210(11) Uani 1 1 d U . .
N11 N 1.2539(3) 0.6329(3) 0.8903(3) 0.0215(10) Uani 1 1 d U . .
N12 N 1.4268(4) 0.6843(4) 0.8787(3) 0.0306(12) Uani 1 1 d U . .
Cl1 Cl 0.4349(3) 0.9345(3) 0.6267(3) 0.0722(13) Uani 0.589(5) 1 d PDU . .
Cl2 Cl 0.6125(3) 0.9174(3) 0.6778(3) 0.0742(14) Uani 0.589(5) 1 d PDU . .
Cl3 Cl 0.5558(3) 0.9840(3) 0.8163(3) 0.0857(16) Uani 0.589(5) 1 d PDU . .
Ga1 Ga 0.87317(5) 0.22584(4) 0.72148(4) 0.02142(17) Uani 1 1 d U . .
Ga2 Ga 1.28584(4) 0.63795(4) 0.78769(4) 0.02075(16) Uani 1 1 d 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
N1 C1 C2 110.6(6) . . ?
N1 C1 H1 124.7 . . ?
C2 C1 H1 124.7 . . ?
C3 C2 C1 106.9(5) . . ?
C3 C2 H2 126.6 . . ?
C1 C2 H2 126.6 . . ?
C2 C3 C4 106.9(5) . . ?
C2 C3 H3 126.6 . . ?
C4 C3 H3 126.6 . . ?
N1 C4 C5 126.9(5) . . ?
N1 C4 C3 108.4(5) . . ?
C5 C4 C3 124.7(6) . . ?
C6 C5 C4 124.3(6) . . ?
C6 C5 C20 117.8(5) . . ?
C4 C5 C20 117.9(5) . . ?
C5 C6 N2 124.5(5) . . ?
C5 C6 C7 126.6(6) . . ?
N2 C6 C7 108.7(5) . . ?
C8 C7 C6 107.1(6) . . ?
C8 C7 H7 126.5 . . ?
C6 C7 H7 126.5 . . ?
C7 C8 C9 106.3(5) . . ?
C7 C8 C10 127.4(6) . . ?
C9 C8 C10 125.8(6) . . ?
N2 C9 C8 112.1(5) . . ?
N2 C9 H9 124.0 . . ?
C8 C9 H9 124.0 . . ?
C8 C10 C12 115.2(4) . . ?
C8 C10 H10A 108.5 . . ?
C12 C10 H10A 108.5 . . ?
C8 C10 H10B 108.5 . . ?
C12 C10 H10B 108.5 . . ?
H10A C10 H10B 107.5 . . ?
N3 C11 C12 112.5(5) . . ?
N3 C11 H11 123.7 . . ?
C12 C11 H11 123.7 . . ?
C13 C12 C11 105.4(5) . . ?
C13 C12 C10 129.0(6) . . ?
C11 C12 C10 125.5(6) . . ?
C12 C13 C14 108.3(5) . . ?
C12 C13 H13 125.8 . . ?
C14 C13 H13 125.8 . . ?
C15 C14 N3 123.0(5) . . ?
C15 C14 C13 129.3(5) . . ?
N3 C14 C13 107.5(5) . . ?
C14 C15 C16 127.3(5) . . ?
C14 C15 C26 116.8(5) . . ?
C16 C15 C26 115.8(5) . . ?
C15 C16 N4 124.4(5) . . ?
C15 C16 C17 127.8(5) . . ?
N4 C16 C17 107.7(5) . . ?
C18 C17 C16 107.7(5) . . ?
C18 C17 H17 126.1 . . ?
C16 C17 H17 126.1 . . ?
C17 C18 C19 105.9(6) . . ?
C17 C18 H18 127.1 . . ?
C19 C18 H18 127.1 . . ?
N4 C19 C18 112.0(6) . . ?
N4 C19 H19 124.0 . . ?
C18 C19 H19 124.0 . . ?
C25 C20 C21 117.8(6) . . ?
C25 C20 C5 122.4(5) . . ?
C21 C20 C5 119.9(5) . . ?
C20 C21 C22 119.8(6) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C23 C22 C21 121.1(6) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C22 C23 C24 120.0(7) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C25 118.9(6) . . ?
C23 C24 H24 120.5 . . ?
C25 C24 H24 120.5 . . ?
C20 C25 C24 122.3(6) . . ?
C20 C25 H25 118.8 . . ?
C24 C25 H25 118.8 . . ?
C31 C26 C27 118.9(5) . . ?
C31 C26 C15 123.0(5) . . ?
C27 C26 C15 118.1(5) . . ?
C28 C27 C26 120.5(6) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C27 C28 C29 119.2(6) . . ?
C27 C28 H28 120.4 . . ?
C29 C28 H28 120.4 . . ?
C30 C29 C28 120.7(6) . . ?
C30 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
C29 C30 C31 120.8(7) . . ?
C29 C30 H30 119.6 . . ?
C31 C30 H30 119.6 . . ?
C26 C31 C30 119.9(6) . . ?
C26 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
N5 C32 C33 111.8(6) . . ?
N5 C32 H32 124.1 . . ?
C33 C32 H32 124.1 . . ?
C34 C33 C32 106.3(5) . . ?
C34 C33 H33 126.9 . . ?
C32 C33 H33 126.9 . . ?
C33 C34 C35 107.6(5) . . ?
C33 C34 H34 126.2 . . ?
C35 C34 H34 126.2 . . ?
N5 C35 C36 124.4(5) . . ?
N5 C35 C34 108.6(5) . . ?
C36 C35 C34 126.9(5) . . ?
C37 C36 C35 127.0(5) . . ?
C37 C36 C51 116.5(5) . . ?
C35 C36 C51 116.5(5) . . ?
C36 C37 N6 124.4(5) . . ?
C36 C37 C38 128.2(5) . . ?
N6 C37 C38 107.4(4) . . ?
C39 C38 C37 108.6(5) . . ?
C39 C38 H38 125.7 . . ?
C37 C38 H38 125.7 . . ?
C38 C39 C40 105.1(5) . . ?
C38 C39 C41 127.7(5) . . ?
C40 C39 C41 127.1(5) . . ?
N6 C40 C39 113.0(5) . . ?
N6 C40 H40 123.5 . . ?
C39 C40 H40 123.5 . . ?
C39 C41 C43 112.8(5) . . ?
C39 C41 H41A 109.0 . . ?
C43 C41 H41A 109.0 . . ?
C39 C41 H41B 109.0 . . ?
C43 C41 H41B 109.0 . . ?
H41A C41 H41B 107.8 . . ?
N7 C42 C43 112.7(5) . . ?
N7 C42 H42 123.6 . . ?
C43 C42 H42 123.6 . . ?
C44 C43 C42 105.1(5) . . ?
C44 C43 C41 127.7(6) . . ?
C42 C43 C41 127.1(5) . . ?
C43 C44 C45 108.6(5) . . ?
C43 C44 H44 125.7 . . ?
C45 C44 H44 125.7 . . ?
C46 C45 N7 123.5(5) . . ?
C46 C45 C44 127.9(5) . . ?
N7 C45 C44 108.5(5) . . ?
C45 C46 C47 127.7(5) . . ?
C45 C46 C57 115.6(5) . . ?
C47 C46 C57 116.7(5) . . ?
N8 C47 C46 124.3(5) . . ?
N8 C47 C48 108.6(5) . . ?
C46 C47 C48 127.1(5) . . ?
C49 C48 C47 107.2(6) . . ?
C49 C48 H48 126.4 . . ?
C47 C48 H48 126.4 . . ?
C48 C49 C50 106.6(6) . . ?
C48 C49 H49 126.7 . . ?
C50 C49 H49 126.7 . . ?
N8 C50 C49 111.3(6) . . ?
N8 C50 H50 124.3 . . ?
C49 C50 H50 124.3 . . ?
C56 C51 C52 119.9(6) . . ?
C56 C51 C36 120.1(5) . . ?
C52 C51 C36 120.0(6) . . ?
C53 C52 C51 119.7(7) . . ?
C53 C52 H52 120.2 . . ?
C51 C52 H52 120.2 . . ?
C54 C53 C52 118.3(7) . . ?
C54 C53 H53 120.9 . . ?
C52 C53 H53 120.9 . . ?
C55 C54 C53 122.8(7) . . ?
C55 C54 H54 118.6 . . ?
C53 C54 H54 118.6 . . ?
C54 C55 C56 119.5(8) . . ?
C54 C55 H55 120.3 . . ?
C56 C55 H55 120.3 . . ?
C51 C56 C55 119.9(7) . . ?
C51 C56 H56 120.0 . . ?
C55 C56 H56 120.0 . . ?
C62 C57 C58 118.1(6) . . ?
C62 C57 C46 122.3(6) . . ?
C58 C57 C46 119.6(6) . . ?
C57 C58 C59 120.0(7) . . ?
C57 C58 H58 120.0 . . ?
C59 C58 H58 120.0 . . ?
C60 C59 C58 120.5(7) . . ?
C60 C59 H59 119.8 . . ?
C58 C59 H59 119.7 . . ?
C61 C60 C59 119.9(7) . . ?
C61 C60 H60 120.1 . . ?
C59 C60 H60 120.1 . . ?
C60 C61 C62 120.1(8) . . ?
C60 C61 H61 120.0 . . ?
C62 C61 H61 120.0 . . ?
C57 C62 C61 121.5(8) . . ?
C57 C62 H62 119.3 . . ?
C61 C62 H62 119.3 . . ?
N9 C63 C64 111.8(6) . . ?
N9 C63 H63 124.1 . . ?
C64 C63 H63 124.1 . . ?
C65 C64 C63 107.2(7) . . ?
C65 C64 H64 126.4 . . ?
C63 C64 H64 126.4 . . ?
C64 C65 C66 106.0(7) . . ?
C64 C65 H65 127.0 . . ?
C66 C65 H65 127.0 . . ?
N9 C66 C67 124.1(6) . . ?
N9 C66 C65 108.9(6) . . ?
C67 C66 C65 126.9(6) . . ?
C68 C67 C66 126.6(6) . . ?
C68 C67 C82 118.2(5) . . ?
C66 C67 C82 115.2(6) . . ?
N10 C68 C67 124.0(5) . . ?
N10 C68 C69 108.3(5) . . ?
C67 C68 C69 127.6(6) . . ?
C70 C69 C68 107.8(5) . . ?
C70 C69 H69 126.1 . . ?
C68 C69 H69 126.1 . . ?
C69 C70 C71 106.4(5) . . ?
C69 C70 C72 128.1(5) . . ?
C71 C70 C72 125.3(6) . . ?
N10 C71 C70 110.6(5) . . ?
N10 C71 H71 124.7 . . ?
C70 C71 H71 124.7 . . ?
C74 C72 C70 114.9(5) . . ?
C74 C72 H72A 108.5 . . ?
C70 C72 H72A 108.5 . . ?
C74 C72 H72B 108.5 . . ?
C70 C72 H72B 108.5 . . ?
H72A C72 H72B 107.5 . . ?
N11 C73 C74 110.9(5) . . ?
N11 C73 H73 124.5 . . ?
C74 C73 H73 124.5 . . ?
C75 C74 C73 106.0(5) . . ?
C75 C74 C72 128.7(5) . . ?
C73 C74 C72 125.1(5) . . ?
C74 C75 C76 107.7(5) . . ?
C74 C75 H75 126.1 . . ?
C76 C75 H75 126.1 . . ?
N11 C76 C77 124.6(5) . . ?
N11 C76 C75 107.8(5) . . ?
C77 C76 C75 127.6(5) . . ?
C78 C77 C76 127.5(6) . . ?
C78 C77 C88 115.8(5) . . ?
C76 C77 C88 116.8(6) . . ?
N12 C78 C77 124.2(6) . . ?
N12 C78 C79 110.0(6) . . ?
C77 C78 C79 125.8(6) . . ?
C80 C79 C78 105.9(6) . . ?
C80 C79 H79 127.0 . . ?
C78 C79 H79 127.0 . . ?
C79 C80 C81 106.2(6) . . ?
C79 C80 H80 126.9 . . ?
C81 C80 H80 126.9 . . ?
N12 C81 C80 113.2(6) . . ?
N12 C81 H81 123.4 . . ?
C80 C81 H81 123.4 . . ?
C87 C82 C83 118.8(7) . . ?
C87 C82 C67 119.7(6) . . ?
C83 C82 C67 121.4(7) . . ?
C82 C83 C84 119.4(8) . . ?
C82 C83 H83 120.3 . . ?
C84 C83 H83 120.3 . . ?
C85 C84 C83 120.3(8) . . ?
C85 C84 H84 119.8 . . ?
C83 C84 H84 119.8 . . ?
C84 C85 C86 121.0(8) . . ?
C84 C85 H85 119.5 . . ?
C86 C85 H85 119.5 . . ?
C85 C86 C87 119.1(8) . . ?
C85 C86 H86 120.4 . . ?
C87 C86 H86 120.4 . . ?
C82 C87 C86 121.3(8) . . ?
C82 C87 H87 119.3 . . ?
C86 C87 H87 119.3 . . ?
C89 C88 C93 119.7(6) . . ?
C89 C88 C77 117.4(6) . . ?
C93 C88 C77 122.8(6) . . ?
C88 C89 C90 120.3(7) . . ?
C88 C89 H89 119.8 . . ?
C90 C89 H89 119.8 . . ?
C91 C90 C89 118.0(7) . . ?
C91 C90 H90 121.0 . . ?
C89 C90 H90 121.0 . . ?
C90 C91 C92 121.8(7) . . ?
C90 C91 H91 119.1 . . ?
C92 C91 H91 119.1 . . ?
C93 C92 C91 119.2(7) . . ?
C93 C92 H92 120.4 . . ?
C91 C92 H92 120.4 . . ?
C92 C93 C88 120.9(7) . . ?
C92 C93 H93 119.5 . . ?
C88 C93 H93 119.5 . . ?
Cl1 C94 Cl3 113.3(6) . . ?
Cl1 C94 Cl2 112.7(5) . . ?
Cl3 C94 Cl2 113.2(6) . . ?
Cl1 C94 H94 105.5 . . ?
Cl3 C94 H94 105.5 . . ?
Cl2 C94 H94 105.5 . . ?
C1 N1 C4 107.2(5) . . ?
C1 N1 Ga1 125.7(4) . . ?
C4 N1 Ga1 126.9(4) . . ?
C9 N2 C6 105.8(5) . . ?
C9 N2 Ga1 126.0(4) . . ?
C6 N2 Ga1 128.1(4) . . ?
C11 N3 C14 106.2(5) . . ?
C11 N3 Ga2 125.6(4) . . ?
C14 N3 Ga2 128.2(4) . . ?
C19 N4 C16 106.7(5) . . ?
C19 N4 Ga2 125.5(4) . . ?
C16 N4 Ga2 127.5(4) . . ?
C32 N5 C35 105.7(5) . . ?
C32 N5 Ga1 126.6(4) . . ?
C35 N5 Ga1 127.7(4) . . ?
C40 N6 C37 105.8(4) . . ?
C40 N6 Ga1 126.8(4) . . ?
C37 N6 Ga1 127.4(4) . . ?
C42 N7 C45 105.0(5) . . ?
C42 N7 Ga2 127.6(4) . . ?
C45 N7 Ga2 127.2(3) . . ?
C50 N8 C47 106.3(5) . . ?
C50 N8 Ga2 126.5(4) . . ?
C47 N8 Ga2 126.1(4) . . ?
C63 N9 C66 106.0(6) . . ?
C63 N9 Ga1 126.3(5) . . ?
C66 N9 Ga1 127.8(4) . . ?
C71 N10 C68 106.8(5) . . ?
C71 N10 Ga1 125.3(4) . . ?
C68 N10 Ga1 127.4(4) . . ?
C73 N11 C76 107.5(4) . . ?
C73 N11 Ga2 125.9(4) . . ?
C76 N11 Ga2 126.5(4) . . ?
C81 N12 C78 104.7(5) . . ?
C81 N12 Ga2 127.9(4) . . ?
C78 N12 Ga2 127.1(4) . . ?
N5 Ga1 N1 90.86(18) . . ?
N5 Ga1 N6 88.97(18) . . ?
N1 Ga1 N6 179.3(2) . . ?
N5 Ga1 N9 91.67(19) . . ?
N1 Ga1 N9 91.8(2) . . ?
N6 Ga1 N9 88.9(2) . . ?
N5 Ga1 N2 88.90(19) . . ?
N1 Ga1 N2 88.64(19) . . ?
N6 Ga1 N2 90.70(19) . . ?
N9 Ga1 N2 179.28(19) . . ?
N5 Ga1 N10 178.42(19) . . ?
N1 Ga1 N10 90.62(18) . . ?
N6 Ga1 N10 89.55(18) . . ?
N9 Ga1 N10 88.85(19) . . ?
N2 Ga1 N10 90.57(18) . . ?
N4 Ga2 N7 90.73(18) . . ?
N4 Ga2 N3 88.71(18) . . ?
N7 Ga2 N3 91.11(19) . . ?
N4 Ga2 N12 90.9(2) . . ?
N7 Ga2 N12 177.92(19) . . ?
N3 Ga2 N12 90.2(2) . . ?
N4 Ga2 N8 93.16(19) . . ?
N7 Ga2 N8 89.32(18) . . ?
N3 Ga2 N8 178.08(18) . . ?
N12 Ga2 N8 89.3(2) . . ?
N4 Ga2 N11 178.87(19) . . ?
N7 Ga2 N11 88.51(18) . . ?
N3 Ga2 N11 90.46(18) . . ?
N12 Ga2 N11 89.89(19) . . ?
N8 Ga2 N11 87.68(18) . . ?
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
C1 N1 1.354(7) . ?
C1 C2 1.411(8) . ?
C1 H1 0.9500 . ?
C2 C3 1.376(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.435(8) . ?
C3 H3 0.9500 . ?
C4 N1 1.384(8) . ?
C4 C5 1.411(8) . ?
C5 C6 1.407(8) . ?
C5 C20 1.494(8) . ?
C6 N2 1.407(7) . ?
C6 C7 1.435(8) . ?
C7 C8 1.387(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.409(9) . ?
C8 C10 1.493(9) . ?
C9 N2 1.357(7) . ?
C9 H9 0.9500 . ?
C10 C12 1.519(8) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 N3 1.326(8) . ?
C11 C12 1.412(9) . ?
C11 H11 0.9500 . ?
C12 C13 1.368(8) . ?
C13 C14 1.420(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.390(8) . ?
C14 N3 1.414(7) . ?
C15 C16 1.398(8) . ?
C15 C26 1.508(7) . ?
C16 N4 1.404(7) . ?
C16 C17 1.418(8) . ?
C17 C18 1.371(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.407(9) . ?
C18 H18 0.9500 . ?
C19 N4 1.322(8) . ?
C19 H19 0.9500 . ?
C20 C25 1.372(9) . ?
C20 C21 1.388(8) . ?
C21 C22 1.420(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.344(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.382(10) . ?
C23 H23 0.9500 . ?
C24 C25 1.402(9) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C31 1.353(9) . ?
C26 C27 1.436(8) . ?
C27 C28 1.386(9) . ?
C27 H27 0.9500 . ?
C28 C29 1.388(10) . ?
C28 H28 0.9500 . ?
C29 C30 1.355(10) . ?
C29 H29 0.9500 . ?
C30 C31 1.421(9) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 N5 1.360(7) . ?
C32 C33 1.386(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.377(9) . ?
C33 H33 0.9500 . ?
C34 C35 1.414(8) . ?
C34 H34 0.9500 . ?
C35 N5 1.392(7) . ?
C35 C36 1.413(8) . ?
C36 C37 1.374(8) . ?
C36 C51 1.501(7) . ?
C37 N6 1.418(6) . ?
C37 C38 1.433(8) . ?
C38 C39 1.365(8) . ?
C38 H38 0.9500 . ?
C39 C40 1.418(8) . ?
C39 C41 1.510(8) . ?
C40 N6 1.330(7) . ?
C40 H40 0.9500 . ?
C41 C43 1.517(8) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 N7 1.344(7) . ?
C42 C43 1.420(8) . ?
C42 H42 0.9500 . ?
C43 C44 1.365(8) . ?
C44 C45 1.417(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.386(8) . ?
C45 N7 1.414(7) . ?
C46 C47 1.411(8) . ?
C46 C57 1.509(8) . ?
C47 N8 1.393(7) . ?
C47 C48 1.413(8) . ?
C48 C49 1.362(9) . ?
C48 H48 0.9500 . ?
C49 C50 1.405(9) . ?
C49 H49 0.9500 . ?
C50 N8 1.332(8) . ?
C50 H50 0.9500 . ?
C51 C56 1.383(9) . ?
C51 C52 1.407(9) . ?
C52 C53 1.402(9) . ?
C52 H52 0.9500 . ?
C53 C54 1.394(13) . ?
C53 H53 0.9500 . ?
C54 C55 1.341(13) . ?
C54 H54 0.9500 . ?
C55 C56 1.410(9) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C62 1.369(10) . ?
C57 C58 1.371(9) . ?
C58 C59 1.404(10) . ?
C58 H58 0.9500 . ?
C59 C60 1.366(11) . ?
C59 H59 0.9500 . ?
C60 C61 1.336(11) . ?
C60 H60 0.9500 . ?
C61 C62 1.398(10) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 N9 1.330(8) . ?
C63 C64 1.400(11) . ?
C63 H63 0.9500 . ?
C64 C65 1.373(10) . ?
C64 H64 0.9500 . ?
C65 C66 1.429(10) . ?
C65 H65 0.9500 . ?
C66 N9 1.403(8) . ?
C66 C67 1.418(9) . ?
C67 C68 1.407(9) . ?
C67 C82 1.507(10) . ?
C68 N10 1.404(8) . ?
C68 C69 1.426(8) . ?
C69 C70 1.362(9) . ?
C69 H69 0.9500 . ?
C70 C71 1.437(8) . ?
C70 C72 1.521(8) . ?
C71 N10 1.340(7) . ?
C71 H71 0.9500 . ?
C72 C74 1.504(8) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 N11 1.340(7) . ?
C73 C74 1.423(8) . ?
C73 H73 0.9500 . ?
C74 C75 1.371(8) . ?
C75 C76 1.433(8) . ?
C75 H75 0.9500 . ?
C76 N11 1.389(7) . ?
C76 C77 1.411(9) . ?
C77 C78 1.407(9) . ?
C77 C88 1.513(9) . ?
C78 N12 1.398(8) . ?
C78 C79 1.427(9) . ?
C79 C80 1.385(10) . ?
C79 H79 0.9500 . ?
C80 C81 1.400(9) . ?
C80 H80 0.9500 . ?
C81 N12 1.336(8) . ?
C81 H81 0.9500 . ?
C82 C87 1.373(10) . ?
C82 C83 1.390(10) . ?
C83 C84 1.400(11) . ?
C83 H83 0.9500 . ?
C84 C85 1.354(12) . ?
C84 H84 0.9500 . ?
C85 C86 1.365(11) . ?
C85 H85 0.9500 . ?
C86 C87 1.387(11) . ?
C86 H86 0.9500 . ?
C87 H87 0.9500 . ?
C88 C89 1.369(10) . ?
C88 C93 1.409(10) . ?
C89 C90 1.456(10) . ?
C89 H89 0.9500 . ?
C90 C91 1.370(11) . ?
C90 H90 0.9500 . ?
C91 C92 1.409(10) . ?
C91 H91 0.9500 . ?
C92 C93 1.380(10) . ?
C92 H92 0.9500 . ?
C93 H93 0.9500 . ?
C94 Cl1 1.713(7) . ?
C94 Cl3 1.719(7) . ?
C94 Cl2 1.728(7) . ?
C94 H94 1.0000 . ?
N1 Ga1 2.054(5) . ?
N2 Ga1 2.062(5) . ?
N3 Ga2 2.058(5) . ?
N4 Ga2 2.048(5) . ?
N5 Ga1 2.053(4) . ?
N6 Ga1 2.056(5) . ?
N7 Ga2 2.053(5) . ?
N8 Ga2 2.065(5) . ?
N9 Ga1 2.058(5) . ?
N10 Ga1 2.067(4) . ?
N11 Ga2 2.080(4) . ?
N12 Ga2 2.058(5) . ?
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
N1 C1 C2 C3 1.1(6) . . . . ?
C1 C2 C3 C4 0.0(6) . . . . ?
C2 C3 C4 N1 -1.1(6) . . . . ?
C2 C3 C4 C5 176.9(5) . . . . ?
N1 C4 C5 C6 -1.3(9) . . . . ?
C3 C4 C5 C6 -179.0(5) . . . . ?
N1 C4 C5 C20 -178.9(5) . . . . ?
C3 C4 C5 C20 3.4(8) . . . . ?
C4 C5 C6 N2 -4.5(8) . . . . ?
C20 C5 C6 N2 173.1(5) . . . . ?
C4 C5 C6 C7 -179.9(5) . . . . ?
C20 C5 C6 C7 -2.3(8) . . . . ?
C5 C6 C7 C8 174.7(5) . . . . ?
N2 C6 C7 C8 -1.3(6) . . . . ?
C6 C7 C8 C9 1.0(6) . . . . ?
C6 C7 C8 C10 -172.2(6) . . . . ?
C7 C8 C9 N2 -0.3(7) . . . . ?
C10 C8 C9 N2 173.0(5) . . . . ?
C7 C8 C10 C12 -143.9(6) . . . . ?
C9 C8 C10 C12 44.2(10) . . . . ?
N3 C11 C12 C13 -1.2(8) . . . . ?
N3 C11 C12 C10 175.0(6) . . . . ?
C8 C10 C12 C13 -135.4(7) . . . . ?
C8 C10 C12 C11 49.2(10) . . . . ?
C11 C12 C13 C14 2.4(7) . . . . ?
C10 C12 C13 C14 -173.7(6) . . . . ?
C12 C13 C14 C15 172.8(6) . . . . ?
C12 C13 C14 N3 -2.7(7) . . . . ?
N3 C14 C15 C16 -3.3(9) . . . . ?
C13 C14 C15 C16 -178.3(6) . . . . ?
N3 C14 C15 C26 175.4(5) . . . . ?
C13 C14 C15 C26 0.5(9) . . . . ?
C14 C15 C16 N4 -6.1(9) . . . . ?
C26 C15 C16 N4 175.1(5) . . . . ?
C14 C15 C16 C17 175.9(6) . . . . ?
C26 C15 C16 C17 -2.9(9) . . . . ?
C15 C16 C17 C18 176.9(6) . . . . ?
N4 C16 C17 C18 -1.3(7) . . . . ?
C16 C17 C18 C19 0.9(8) . . . . ?
C17 C18 C19 N4 -0.2(9) . . . . ?
C6 C5 C20 C25 79.4(7) . . . . ?
C4 C5 C20 C25 -102.8(7) . . . . ?
C6 C5 C20 C21 -101.7(7) . . . . ?
C4 C5 C20 C21 76.0(7) . . . . ?
C25 C20 C21 C22 0.8(9) . . . . ?
C5 C20 C21 C22 -178.1(6) . . . . ?
C20 C21 C22 C23 -0.4(11) . . . . ?
C21 C22 C23 C24 1.1(10) . . . . ?
C22 C23 C24 C25 -2.1(10) . . . . ?
C21 C20 C25 C24 -1.8(9) . . . . ?
C5 C20 C25 C24 177.1(6) . . . . ?
C23 C24 C25 C20 2.5(9) . . . . ?
C14 C15 C26 C31 -56.0(8) . . . . ?
C16 C15 C26 C31 122.8(6) . . . . ?
C14 C15 C26 C27 123.3(6) . . . . ?
C16 C15 C26 C27 -57.9(7) . . . . ?
C31 C26 C27 C28 -2.7(9) . . . . ?
C15 C26 C27 C28 178.0(5) . . . . ?
C26 C27 C28 C29 1.4(9) . . . . ?
C27 C28 C29 C30 -0.9(11) . . . . ?
C28 C29 C30 C31 1.6(11) . . . . ?
C27 C26 C31 C30 3.3(9) . . . . ?
C15 C26 C31 C30 -177.4(6) . . . . ?
C29 C30 C31 C26 -2.9(10) . . . . ?
N5 C32 C33 C34 1.3(8) . . . . ?
C32 C33 C34 C35 -1.1(7) . . . . ?
C33 C34 C35 N5 0.5(7) . . . . ?
C33 C34 C35 C36 -175.5(6) . . . . ?
N5 C35 C36 C37 -1.3(10) . . . . ?
C34 C35 C36 C37 174.1(6) . . . . ?
N5 C35 C36 C51 178.2(5) . . . . ?
C34 C35 C36 C51 -6.4(9) . . . . ?
C35 C36 C37 N6 2.9(10) . . . . ?
C51 C36 C37 N6 -176.6(5) . . . . ?
C35 C36 C37 C38 -177.6(6) . . . . ?
C51 C36 C37 C38 2.9(9) . . . . ?
C36 C37 C38 C39 179.5(6) . . . . ?
N6 C37 C38 C39 -0.9(7) . . . . ?
C37 C38 C39 C40 2.4(7) . . . . ?
C37 C38 C39 C41 -178.1(5) . . . . ?
C38 C39 C40 N6 -3.3(7) . . . . ?
C41 C39 C40 N6 177.3(5) . . . . ?
C38 C39 C41 C43 -131.6(6) . . . . ?
C40 C39 C41 C43 47.8(8) . . . . ?
N7 C42 C43 C44 -0.6(6) . . . . ?
N7 C42 C43 C41 176.8(5) . . . . ?
C39 C41 C43 C44 -128.9(6) . . . . ?
C39 C41 C43 C42 54.2(8) . . . . ?
C42 C43 C44 C45 0.9(6) . . . . ?
C41 C43 C44 C45 -176.5(5) . . . . ?
C43 C44 C45 C46 -178.4(5) . . . . ?
C43 C44 C45 N7 -0.9(6) . . . . ?
N7 C45 C46 C47 4.0(9) . . . . ?
C44 C45 C46 C47 -178.8(6) . . . . ?
N7 C45 C46 C57 -173.8(5) . . . . ?
C44 C45 C46 C57 3.4(9) . . . . ?
C45 C46 C47 N8 0.8(10) . . . . ?
C57 C46 C47 N8 178.6(6) . . . . ?
C45 C46 C47 C48 179.4(6) . . . . ?
C57 C46 C47 C48 -2.8(9) . . . . ?
N8 C47 C48 C49 -0.8(8) . . . . ?
C46 C47 C48 C49 -179.5(6) . . . . ?
C47 C48 C49 C50 1.2(8) . . . . ?
C48 C49 C50 N8 -1.2(9) . . . . ?
C37 C36 C51 C56 -69.6(8) . . . . ?
C35 C36 C51 C56 110.8(7) . . . . ?
C37 C36 C51 C52 109.6(7) . . . . ?
C35 C36 C51 C52 -70.0(8) . . . . ?
C56 C51 C52 C53 -0.5(9) . . . . ?
C36 C51 C52 C53 -179.7(6) . . . . ?
C51 C52 C53 C54 -0.6(10) . . . . ?
C52 C53 C54 C55 1.0(12) . . . . ?
C53 C54 C55 C56 -0.3(12) . . . . ?
C52 C51 C56 C55 1.2(9) . . . . ?
C36 C51 C56 C55 -179.6(6) . . . . ?
C54 C55 C56 C51 -0.8(10) . . . . ?
C45 C46 C57 C62 -88.5(7) . . . . ?
C47 C46 C57 C62 93.4(7) . . . . ?
C45 C46 C57 C58 91.8(7) . . . . ?
C47 C46 C57 C58 -86.4(7) . . . . ?
C62 C57 C58 C59 0.3(11) . . . . ?
C46 C57 C58 C59 -179.9(6) . . . . ?
C57 C58 C59 C60 1.8(12) . . . . ?
C58 C59 C60 C61 -2.4(12) . . . . ?
C59 C60 C61 C62 0.9(12) . . . . ?
C58 C57 C62 C61 -1.8(11) . . . . ?
C46 C57 C62 C61 178.4(7) . . . . ?
C60 C61 C62 C57 1.3(12) . . . . ?
N9 C63 C64 C65 2.1(11) . . . . ?
C63 C64 C65 C66 -0.3(11) . . . . ?
C64 C65 C66 N9 -1.4(10) . . . . ?
C64 C65 C66 C67 -177.5(8) . . . . ?
N9 C66 C67 C68 -4.0(11) . . . . ?
C65 C66 C67 C68 171.5(8) . . . . ?
N9 C66 C67 C82 176.6(6) . . . . ?
C65 C66 C67 C82 -7.8(11) . . . . ?
C66 C67 C68 N10 -0.2(11) . . . . ?
C82 C67 C68 N10 179.1(6) . . . . ?
C66 C67 C68 C69 -177.9(6) . . . . ?
C82 C67 C68 C69 1.5(10) . . . . ?
N10 C68 C69 C70 -1.2(6) . . . . ?
C67 C68 C69 C70 176.8(6) . . . . ?
C68 C69 C70 C71 1.1(6) . . . . ?
C68 C69 C70 C72 -175.7(5) . . . . ?
C69 C70 C71 N10 -0.6(6) . . . . ?
C72 C70 C71 N10 176.3(5) . . . . ?
C69 C70 C72 C74 -131.1(6) . . . . ?
C71 C70 C72 C74 52.7(8) . . . . ?
N11 C73 C74 C75 -1.1(7) . . . . ?
N11 C73 C74 C72 175.6(5) . . . . ?
C70 C72 C74 C75 -140.4(6) . . . . ?
C70 C72 C74 C73 43.7(8) . . . . ?
C73 C74 C75 C76 1.6(7) . . . . ?
C72 C74 C75 C76 -174.9(6) . . . . ?
C74 C75 C76 N11 -1.6(7) . . . . ?
C74 C75 C76 C77 178.7(7) . . . . ?
N11 C76 C77 C78 2.4(11) . . . . ?
C75 C76 C77 C78 -177.9(7) . . . . ?
N11 C76 C77 C88 -178.3(6) . . . . ?
C75 C76 C77 C88 1.4(10) . . . . ?
C76 C77 C78 N12 -3.3(12) . . . . ?
C88 C77 C78 N12 177.4(6) . . . . ?
C76 C77 C78 C79 177.9(7) . . . . ?
C88 C77 C78 C79 -1.4(11) . . . . ?
N12 C78 C79 C80 0.7(9) . . . . ?
C77 C78 C79 C80 179.7(7) . . . . ?
C78 C79 C80 C81 0.0(9) . . . . ?
C79 C80 C81 N12 -0.8(9) . . . . ?
C68 C67 C82 C87 114.2(7) . . . . ?
C66 C67 C82 C87 -66.4(9) . . . . ?
C68 C67 C82 C83 -68.9(9) . . . . ?
C66 C67 C82 C83 110.6(7) . . . . ?
C87 C82 C83 C84 -0.9(10) . . . . ?
C67 C82 C83 C84 -177.9(6) . . . . ?
C82 C83 C84 C85 0.3(11) . . . . ?
C83 C84 C85 C86 -0.6(12) . . . . ?
C84 C85 C86 C87 1.5(12) . . . . ?
C83 C82 C87 C86 1.8(11) . . . . ?
C67 C82 C87 C86 178.9(7) . . . . ?
C85 C86 C87 C82 -2.2(12) . . . . ?
C78 C77 C88 C89 -101.2(8) . . . . ?
C76 C77 C88 C89 79.4(8) . . . . ?
C78 C77 C88 C93 74.9(9) . . . . ?
C76 C77 C88 C93 -104.5(8) . . . . ?
C93 C88 C89 C90 2.9(11) . . . . ?
C77 C88 C89 C90 179.2(6) . . . . ?
C88 C89 C90 C91 -0.6(11) . . . . ?
C89 C90 C91 C92 -1.3(11) . . . . ?
C90 C91 C92 C93 1.0(11) . . . . ?
C91 C92 C93 C88 1.4(11) . . . . ?
C89 C88 C93 C92 -3.3(11) . . . . ?
C77 C88 C93 C92 -179.4(7) . . . . ?
C2 C1 N1 C4 -1.8(6) . . . . ?
C2 C1 N1 Ga1 173.0(4) . . . . ?
C5 C4 N1 C1 -176.2(5) . . . . ?
C3 C4 N1 C1 1.8(6) . . . . ?
C5 C4 N1 Ga1 9.1(8) . . . . ?
C3 C4 N1 Ga1 -172.9(4) . . . . ?
C8 C9 N2 C6 -0.5(6) . . . . ?
C8 C9 N2 Ga1 -177.6(4) . . . . ?
C5 C6 N2 C9 -175.0(5) . . . . ?
C7 C6 N2 C9 1.1(6) . . . . ?
C5 C6 N2 Ga1 2.0(7) . . . . ?
C7 C6 N2 Ga1 178.1(3) . . . . ?
C12 C11 N3 C14 -0.5(7) . . . . ?
C12 C11 N3 Ga2 176.7(4) . . . . ?
C15 C14 N3 C11 -174.0(6) . . . . ?
C13 C14 N3 C11 1.9(7) . . . . ?
C15 C14 N3 Ga2 8.9(8) . . . . ?
C13 C14 N3 Ga2 -175.2(4) . . . . ?
C18 C19 N4 C16 -0.6(8) . . . . ?
C18 C19 N4 Ga2 173.0(5) . . . . ?
C15 C16 N4 C19 -177.1(6) . . . . ?
C17 C16 N4 C19 1.2(7) . . . . ?
C15 C16 N4 Ga2 9.3(8) . . . . ?
C17 C16 N4 Ga2 -172.3(4) . . . . ?
C33 C32 N5 C35 -1.0(7) . . . . ?
C33 C32 N5 Ga1 178.8(4) . . . . ?
C36 C35 N5 C32 176.4(6) . . . . ?
C34 C35 N5 C32 0.3(7) . . . . ?
C36 C35 N5 Ga1 -3.3(9) . . . . ?
C34 C35 N5 Ga1 -179.5(4) . . . . ?
C39 C40 N6 C37 2.7(7) . . . . ?
C39 C40 N6 Ga1 -179.1(4) . . . . ?
C36 C37 N6 C40 178.5(6) . . . . ?
C38 C37 N6 C40 -1.1(6) . . . . ?
C36 C37 N6 Ga1 0.4(8) . . . . ?
C38 C37 N6 Ga1 -179.2(4) . . . . ?
C43 C42 N7 C45 0.1(6) . . . . ?
C43 C42 N7 Ga2 174.2(4) . . . . ?
C46 C45 N7 C42 178.2(5) . . . . ?
C44 C45 N7 C42 0.5(6) . . . . ?
C46 C45 N7 Ga2 4.0(8) . . . . ?
C44 C45 N7 Ga2 -173.7(3) . . . . ?
C49 C50 N8 C47 0.7(8) . . . . ?
C49 C50 N8 Ga2 -167.4(5) . . . . ?
C46 C47 N8 C50 178.8(6) . . . . ?
C48 C47 N8 C50 0.1(7) . . . . ?
C46 C47 N8 Ga2 -13.0(8) . . . . ?
C48 C47 N8 Ga2 168.2(4) . . . . ?
C64 C63 N9 C66 -3.0(9) . . . . ?
C64 C63 N9 Ga1 178.2(6) . . . . ?
C67 C66 N9 C63 178.9(7) . . . . ?
C65 C66 N9 C63 2.7(8) . . . . ?
C67 C66 N9 Ga1 -2.3(10) . . . . ?
C65 C66 N9 Ga1 -178.5(5) . . . . ?
C70 C71 N10 C68 -0.1(6) . . . . ?
C70 C71 N10 Ga1 172.5(3) . . . . ?
C67 C68 N10 C71 -177.3(6) . . . . ?
C69 C68 N10 C71 0.8(6) . . . . ?
C67 C68 N10 Ga1 10.3(9) . . . . ?
C69 C68 N10 Ga1 -171.6(4) . . . . ?
C74 C73 N11 C76 0.1(6) . . . . ?
C74 C73 N11 Ga2 -175.6(4) . . . . ?
C77 C76 N11 C73 -179.3(6) . . . . ?
C75 C76 N11 C73 0.9(6) . . . . ?
C77 C76 N11 Ga2 -3.7(9) . . . . ?
C75 C76 N11 Ga2 176.5(4) . . . . ?
C80 C81 N12 C78 1.2(8) . . . . ?
C80 C81 N12 Ga2 175.6(5) . . . . ?
C77 C78 N12 C81 179.9(7) . . . . ?
C79 C78 N12 C81 -1.2(8) . . . . ?
C77 C78 N12 Ga2 5.5(10) . . . . ?
C79 C78 N12 Ga2 -175.6(5) . . . . ?
C32 N5 Ga1 N1 5.5(5) . . . . ?
C35 N5 Ga1 N1 -174.8(5) . . . . ?
C32 N5 Ga1 N6 -175.2(5) . . . . ?
C35 N5 Ga1 N6 4.6(5) . . . . ?
C32 N5 Ga1 N9 -86.3(5) . . . . ?
C35 N5 Ga1 N9 93.4(5) . . . . ?
C32 N5 Ga1 N2 94.1(5) . . . . ?
C35 N5 Ga1 N2 -86.1(5) . . . . ?
C32 N5 Ga1 N10 165(7) . . . . ?
C35 N5 Ga1 N10 -16(8) . . . . ?
C1 N1 Ga1 N5 -93.3(4) . . . . ?
C4 N1 Ga1 N5 80.4(4) . . . . ?
C1 N1 Ga1 N6 -168(57) . . . . ?
C4 N1 Ga1 N6 5(15) . . . . ?
C1 N1 Ga1 N9 -1.6(4) . . . . ?
C4 N1 Ga1 N9 172.1(4) . . . . ?
C1 N1 Ga1 N2 177.8(4) . . . . ?
C4 N1 Ga1 N2 -8.4(4) . . . . ?
C1 N1 Ga1 N10 87.2(4) . . . . ?
C4 N1 Ga1 N10 -99.0(4) . . . . ?
C40 N6 Ga1 N5 179.0(5) . . . . ?
C37 N6 Ga1 N5 -3.2(5) . . . . ?
C40 N6 Ga1 N1 -106(15) . . . . ?
C37 N6 Ga1 N1 72(15) . . . . ?
C40 N6 Ga1 N9 87.3(5) . . . . ?
C37 N6 Ga1 N9 -94.9(5) . . . . ?
C40 N6 Ga1 N2 -92.1(5) . . . . ?
C37 N6 Ga1 N2 85.7(5) . . . . ?
C40 N6 Ga1 N10 -1.5(5) . . . . ?
C37 N6 Ga1 N10 176.3(5) . . . . ?
C63 N9 Ga1 N5 8.1(6) . . . . ?
C66 N9 Ga1 N5 -170.4(5) . . . . ?
C63 N9 Ga1 N1 -82.8(6) . . . . ?
C66 N9 Ga1 N1 98.7(5) . . . . ?
C63 N9 Ga1 N6 97.1(6) . . . . ?
C66 N9 Ga1 N6 -81.5(5) . . . . ?
C63 N9 Ga1 N2 150(15) . . . . ?
C66 N9 Ga1 N2 -28(15) . . . . ?
C63 N9 Ga1 N10 -173.4(6) . . . . ?
C66 N9 Ga1 N10 8.1(5) . . . . ?
C9 N2 Ga1 N5 88.9(4) . . . . ?
C6 N2 Ga1 N5 -87.6(4) . . . . ?
C9 N2 Ga1 N1 179.8(4) . . . . ?
C6 N2 Ga1 N1 3.3(4) . . . . ?
C9 N2 Ga1 N6 0.0(4) . . . . ?
C6 N2 Ga1 N6 -176.5(4) . . . . ?
C9 N2 Ga1 N9 -53(15) . . . . ?
C6 N2 Ga1 N9 130(15) . . . . ?
C9 N2 Ga1 N10 -89.6(4) . . . . ?
C6 N2 Ga1 N10 93.9(4) . . . . ?
C71 N10 Ga1 N5 -74(8) . . . . ?
C68 N10 Ga1 N5 97(7) . . . . ?
C71 N10 Ga1 N1 85.2(5) . . . . ?
C68 N10 Ga1 N1 -103.7(5) . . . . ?
C71 N10 Ga1 N6 -94.1(5) . . . . ?
C68 N10 Ga1 N6 77.0(5) . . . . ?
C71 N10 Ga1 N9 177.0(5) . . . . ?
C68 N10 Ga1 N9 -11.9(5) . . . . ?
C71 N10 Ga1 N2 -3.4(5) . . . . ?
C68 N10 Ga1 N2 167.6(5) . . . . ?
C19 N4 Ga2 N7 92.8(5) . . . . ?
C16 N4 Ga2 N7 -94.8(5) . . . . ?
C19 N4 Ga2 N3 -176.1(5) . . . . ?
C16 N4 Ga2 N3 -3.7(5) . . . . ?
C19 N4 Ga2 N12 -85.9(5) . . . . ?
C16 N4 Ga2 N12 86.5(5) . . . . ?
C19 N4 Ga2 N8 3.5(5) . . . . ?
C16 N4 Ga2 N8 175.8(5) . . . . ?
C19 N4 Ga2 N11 141(10) . . . . ?
C16 N4 Ga2 N11 -47(10) . . . . ?
C42 N7 Ga2 N4 83.2(5) . . . . ?
C45 N7 Ga2 N4 -103.9(5) . . . . ?
C42 N7 Ga2 N3 -5.5(5) . . . . ?
C45 N7 Ga2 N3 167.3(5) . . . . ?
C42 N7 Ga2 N12 -136(5) . . . . ?
C45 N7 Ga2 N12 37(6) . . . . ?
C42 N7 Ga2 N8 176.3(5) . . . . ?
C45 N7 Ga2 N8 -10.8(5) . . . . ?
C42 N7 Ga2 N11 -96.0(5) . . . . ?
C45 N7 Ga2 N11 76.9(5) . . . . ?
C11 N3 Ga2 N4 178.5(5) . . . . ?
C14 N3 Ga2 N4 -5.0(5) . . . . ?
C11 N3 Ga2 N7 -90.8(5) . . . . ?
C14 N3 Ga2 N7 85.7(5) . . . . ?
C11 N3 Ga2 N12 87.6(5) . . . . ?
C14 N3 Ga2 N12 -95.9(5) . . . . ?
C11 N3 Ga2 N8 12(6) . . . . ?
C14 N3 Ga2 N8 -171(6) . . . . ?
C11 N3 Ga2 N11 -2.3(5) . . . . ?
C14 N3 Ga2 N11 174.2(5) . . . . ?
C81 N12 Ga2 N4 2.7(6) . . . . ?
C78 N12 Ga2 N4 175.8(5) . . . . ?
C81 N12 Ga2 N7 -138(5) . . . . ?
C78 N12 Ga2 N7 35(6) . . . . ?
C81 N12 Ga2 N3 91.4(6) . . . . ?
C78 N12 Ga2 N3 -95.5(5) . . . . ?
C81 N12 Ga2 N8 -90.5(6) . . . . ?
C78 N12 Ga2 N8 82.6(5) . . . . ?
C81 N12 Ga2 N11 -178.2(6) . . . . ?
C78 N12 Ga2 N11 -5.1(5) . . . . ?
C50 N8 Ga2 N4 -88.5(5) . . . . ?
C47 N8 Ga2 N4 105.7(5) . . . . ?
C50 N8 Ga2 N7 -179.2(5) . . . . ?
C47 N8 Ga2 N7 15.0(5) . . . . ?
C50 N8 Ga2 N3 78(6) . . . . ?
C47 N8 Ga2 N3 -88(6) . . . . ?
C50 N8 Ga2 N12 2.3(5) . . . . ?
C47 N8 Ga2 N12 -163.5(5) . . . . ?
C50 N8 Ga2 N11 92.3(5) . . . . ?
C47 N8 Ga2 N11 -73.6(5) . . . . ?
C73 N11 Ga2 N4 -48(10) . . . . ?
C76 N11 Ga2 N4 137(10) . . . . ?
C73 N11 Ga2 N7 0.4(5) . . . . ?
C76 N11 Ga2 N7 -174.5(5) . . . . ?
C73 N11 Ga2 N3 -90.7(5) . . . . ?
C76 N11 Ga2 N3 94.4(5) . . . . ?
C73 N11 Ga2 N12 179.1(5) . . . . ?
C76 N11 Ga2 N12 4.2(5) . . . . ?
C73 N11 Ga2 N8 89.8(5) . . . . ?
C76 N11 Ga2 N8 -85.1(5) . . . . ?
