#------------------------------------------------------------------------------
#$Date: 2020-06-04 04:46:27 +0300 (Thu, 04 Jun 2020) $
#$Revision: 252629 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/06/7240613.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_7240613
loop_
_publ_author_name
'Gugin, Nikita'
'Presypkina, Eugenia V.'
'Virovets, Alexander Viktorovich'
'Davydova, Elena I.'
'Timoshkin, Alexey Y.'
_publ_section_title
;
 Structural Variety of Aluminium and Gallium Coordination Polymers Based
 on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00541J
_journal_year                    2020
_chemical_formula_moiety
'C30 H25 Cl2 Ga N5, C36 H30 Cl2 Ga N6, 1.5(C12 H10 N2), 2(Cl4 Ga)'
_chemical_formula_sum            'C84 H70 Cl12 Ga4 N14'
_chemical_formula_weight         1979.82
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-02-17 deposited with the CCDC.	2020-06-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.160(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9814(4)
_cell_length_b                   28.3968(8)
_cell_length_c                   26.3183(8)
_cell_measurement_reflns_used    13428
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      74.3020
_cell_measurement_theta_min      3.7510
_cell_volume                     8814.0(5)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SHELXT
_diffrn_ambient_temperature      90(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 4.2047
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Rigaku Oxford Diffraction SuperNova'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_av_unetI/netI     0.0734
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            42771
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        67.500
_diffrn_reflns_theta_max         73.839
_diffrn_reflns_theta_min         3.412
_diffrn_source_type              'microfocus SuperNova source'
_exptl_absorpt_coefficient_mu    5.158
_exptl_absorpt_correction_T_max  0.890
_exptl_absorpt_correction_T_min  0.690
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_description       block
_exptl_crystal_F_000             4000
_exptl_crystal_recrystallization_method Sublimation
_exptl_crystal_size_max          0.108
_exptl_crystal_size_mid          0.069
_exptl_crystal_size_min          0.028
_refine_diff_density_max         0.792
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.849
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1027
_refine_ls_number_reflns         17371
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.849
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0311
_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)+(0.0246P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0547
_refine_ls_wR_factor_ref         0.0609
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11416
_reflns_number_total             17371
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce00541j2.cif
_cod_data_source_block           ayt60
_cod_original_cell_volume        8814.0(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7240613
_shelx_shelxl_version_number     2014/7
_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   0.606
_shelx_estimated_absorpt_t_max   0.869
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_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 0.43352(3) 0.22914(2) 0.56019(2) 0.01102(7) Uani 1 1 d . . . . .
Cl1 Cl 0.60348(5) 0.23955(2) 0.53260(2) 0.01543(12) Uani 1 1 d . . . . .
Cl2 Cl 0.26502(5) 0.21383(2) 0.58950(2) 0.01484(12) Uani 1 1 d . . . . .
N11 N 0.41441(17) 0.30204(7) 0.57004(7) 0.0139(5) Uani 1 1 d . . . . .
C111 C 0.5052(2) 0.32980(9) 0.58605(9) 0.0181(6) Uani 1 1 d . . . . .
H111 H 0.5769 0.3153 0.5969 0.022 Uiso 1 1 calc R U . . .
C112 C 0.4986(2) 0.37816(9) 0.58735(10) 0.0218(6) Uani 1 1 d . . . . .
H112 H 0.5644 0.3964 0.5994 0.026 Uiso 1 1 calc R U . . .
C113 C 0.3947(2) 0.40005(9) 0.57093(10) 0.0206(6) Uani 1 1 d . . . . .
C114 C 0.3004(2) 0.37133(9) 0.55666(10) 0.0242(7) Uani 1 1 d . . . . .
H114 H 0.2272 0.3850 0.5474 0.029 Uiso 1 1 calc R U . . .
C115 C 0.3128(2) 0.32318(9) 0.55600(10) 0.0183(6) Uani 1 1 d . . . . .
H115 H 0.2477 0.3042 0.5453 0.022 Uiso 1 1 calc R U . . .
C116 C 0.3830(3) 0.45159(9) 0.56699(10) 0.0252(7) Uani 1 1 d . . . . .
H116 H 0.3087 0.4644 0.5625 0.030 Uiso 1 1 calc R U . . .
C117 C 0.4688(3) 0.48120(9) 0.56934(10) 0.0261(7) Uani 1 1 d . . . . .
H117 H 0.5428 0.4680 0.5762 0.031 Uiso 1 1 calc R U . . .
C118 C 0.4614(3) 0.53230(9) 0.56242(10) 0.0273(7) Uani 1 1 d . . . . .
C119 C 0.5588(3) 0.55918(11) 0.56830(12) 0.0371(8) Uani 1 1 d . . . . .
H119 H 0.6309 0.5446 0.5777 0.045 Uiso 1 1 calc R U . . .
C120 C 0.5513(4) 0.60764(11) 0.56047(13) 0.0432(10) Uani 1 1 d . . . . .
H120 H 0.6197 0.6253 0.5645 0.052 Uiso 1 1 calc R U . . .
C121 C 0.3596(4) 0.60451(10) 0.54192(12) 0.0448(10) Uani 1 1 d . . . . .
H121 H 0.2887 0.6200 0.5328 0.054 Uiso 1 1 calc R U . . .
C122 C 0.3591(3) 0.55614(10) 0.54853(12) 0.0372(9) Uani 1 1 d . . . . .
H122 H 0.2894 0.5394 0.5436 0.045 Uiso 1 1 calc R U . . .
N12 N 0.4534(3) 0.63066(9) 0.54759(10) 0.0457(9) Uani 1 1 d . . . . .
N21 N 0.52139(18) 0.22503(7) 0.63624(7) 0.0133(4) Uani 1 1 d . . . . .
C211 C 0.4844(2) 0.25038(8) 0.67298(9) 0.0153(5) Uani 1 1 d . . . . .
H211 H 0.4147 0.2669 0.6643 0.018 Uiso 1 1 calc R U . . .
C212 C 0.5433(2) 0.25351(8) 0.72281(9) 0.0150(5) Uani 1 1 d . . . . .
H212 H 0.5149 0.2723 0.7476 0.018 Uiso 1 1 calc R U . . .
C213 C 0.6449(2) 0.22886(9) 0.73661(9) 0.0160(6) Uani 1 1 d . . . . .
C214 C 0.6820(2) 0.20245(9) 0.69818(9) 0.0181(6) Uani 1 1 d . . . . .
H214 H 0.7505 0.1850 0.7060 0.022 Uiso 1 1 calc R U . . .
C215 C 0.6196(2) 0.20159(9) 0.64869(9) 0.0163(6) Uani 1 1 d . . . . .
H215 H 0.6470 0.1839 0.6228 0.020 Uiso 1 1 calc R U . . .
C216 C 0.7079(2) 0.22804(9) 0.78996(9) 0.0174(6) Uani 1 1 d . . . . .
H216 H 0.7673 0.2057 0.7986 0.021 Uiso 1 1 calc R U . . .
C217 C 0.6859(2) 0.25687(9) 0.82648(9) 0.0153(5) Uani 1 1 d . . . . .
H217 H 0.6297 0.2802 0.8162 0.018 Uiso 1 1 calc R U . . .
C218 C 0.7393(2) 0.25661(8) 0.88126(9) 0.0137(5) Uani 1 1 d . . . . .
C219 C 0.7056(2) 0.29002(9) 0.91449(9) 0.0155(5) Uani 1 1 d . . . . .
H219 H 0.6460 0.3114 0.9020 0.019 Uiso 1 1 calc R U . . .
C220 C 0.7588(2) 0.29202(8) 0.96531(9) 0.0149(5) Uani 1 1 d . . . . .
H220 H 0.7349 0.3149 0.9875 0.018 Uiso 1 1 calc R U . . .
C221 C 0.8748(2) 0.22935(8) 0.95361(9) 0.0138(5) Uani 1 1 d . . . . .
H221 H 0.9341 0.2083 0.9673 0.017 Uiso 1 1 calc R U . . .
C222 C 0.8234(2) 0.22468(9) 0.90224(9) 0.0155(5) Uani 1 1 d . . . . .
H222 H 0.8452 0.2000 0.8816 0.019 Uiso 1 1 calc R U . . .
N22 N 0.84405(17) 0.26243(7) 0.98453(7) 0.0124(4) Uani 1 1 d . . . . .
N31 N 0.44668(17) 0.15629(7) 0.54684(7) 0.0132(4) Uani 1 1 d . . . . .
C311 C 0.4240(2) 0.12394(8) 0.58117(9) 0.0164(6) Uani 1 1 d . . . . .
H311 H 0.4006 0.1342 0.6120 0.020 Uiso 1 1 calc R U . . .
C312 C 0.4340(2) 0.07625(8) 0.57256(9) 0.0170(6) Uani 1 1 d . . . . .
H312 H 0.4187 0.0543 0.5976 0.020 Uiso 1 1 calc R U . . .
C313 C 0.4663(2) 0.06027(8) 0.52731(9) 0.0160(6) Uani 1 1 d . . . . .
C314 C 0.4857(2) 0.09411(8) 0.49142(9) 0.0172(6) Uani 1 1 d . . . . .
H314 H 0.5052 0.0848 0.4594 0.021 Uiso 1 1 calc R U . . .
C315 C 0.4764(2) 0.14119(8) 0.50275(9) 0.0155(5) Uani 1 1 d . . . . .
H315 H 0.4917 0.1639 0.4784 0.019 Uiso 1 1 calc R U . . .
C316 C 0.4808(2) 0.00971(9) 0.51977(9) 0.0190(6) Uani 1 1 d . . . . .
H316 H 0.4612 -0.0109 0.5452 0.023 Uiso 1 1 calc R U . . .
Ga2 Ga 0.73994(3) 0.24511(2) 0.36129(2) 0.01157(7) Uani 1 1 d . . . . .
Cl3 Cl 0.56900(5) 0.24356(2) 0.38874(2) 0.01572(12) Uani 1 1 d . . . . .
Cl4 Cl 0.91186(5) 0.24428(2) 0.33326(2) 0.01585(13) Uani 1 1 d . . . . .
N41 N 0.72449(17) 0.31868(7) 0.34785(7) 0.0149(5) Uani 1 1 d . . . . .
C411 C 0.8166(2) 0.34650(9) 0.35927(9) 0.0174(6) Uani 1 1 d . . . . .
H411 H 0.8874 0.3325 0.3732 0.021 Uiso 1 1 calc R U . . .
C412 C 0.8118(2) 0.39467(9) 0.35140(10) 0.0212(6) Uani 1 1 d . . . . .
H412 H 0.8785 0.4131 0.3603 0.025 Uiso 1 1 calc R U . . .
C413 C 0.7092(2) 0.41629(9) 0.33032(10) 0.0199(6) Uani 1 1 d . . . . .
C414 C 0.6144(2) 0.38690(9) 0.31817(10) 0.0204(6) Uani 1 1 d . . . . .
H414 H 0.5428 0.3998 0.3034 0.024 Uiso 1 1 calc R U . . .
C415 C 0.6254(2) 0.33925(9) 0.32768(9) 0.0187(6) Uani 1 1 d . . . . .
H415 H 0.5598 0.3200 0.3196 0.022 Uiso 1 1 calc R U . . .
C416 C 0.7079(2) 0.46749(9) 0.32165(10) 0.0227(6) Uani 1 1 d . . . . .
H416 H 0.7790 0.4832 0.3278 0.027 Uiso 1 1 calc R U . . .
C417 C 0.6164(2) 0.49381(9) 0.30605(10) 0.0222(6) Uani 1 1 d . . . . .
H417 H 0.5449 0.4784 0.2995 0.027 Uiso 1 1 calc R U . . .
C418 C 0.6183(2) 0.54533(9) 0.29813(10) 0.0216(6) Uani 1 1 d . . . . .
C419 C 0.7158(3) 0.57242(10) 0.31002(13) 0.0337(8) Uani 1 1 d . . . . .
H419 H 0.7857 0.5582 0.3248 0.040 Uiso 1 1 calc R U . . .
C420 C 0.7104(3) 0.62051(10) 0.30011(13) 0.0341(8) Uani 1 1 d . . . . .
H420 H 0.7785 0.6382 0.3084 0.041 Uiso 1 1 calc R U . . .
C421 C 0.5230(3) 0.61705(10) 0.26882(12) 0.0315(7) Uani 1 1 d . . . . .
H421 H 0.4542 0.6322 0.2541 0.038 Uiso 1 1 calc R U . . .
C422 C 0.5196(3) 0.56895(10) 0.27746(11) 0.0273(7) Uani 1 1 d . . . . .
H422 H 0.4500 0.5523 0.2693 0.033 Uiso 1 1 calc R U . . .
N42 N 0.6160(2) 0.64344(8) 0.27966(10) 0.0297(6) Uani 1 1 d . . . . .
N51 N 0.75766(18) 0.17164(7) 0.37910(7) 0.0154(5) Uani 1 1 d . . . . .
C511 C 0.7359(2) 0.15584(8) 0.42458(9) 0.0156(5) Uani 1 1 d . . . . .
H511 H 0.7047 0.1771 0.4462 0.019 Uiso 1 1 calc R U . . .
C512 C 0.7570(2) 0.11000(9) 0.44116(10) 0.0182(6) Uani 1 1 d . . . . .
H512 H 0.7409 0.1003 0.4736 0.022 Uiso 1 1 calc R U . . .
C513 C 0.8023(2) 0.07799(9) 0.40979(10) 0.0187(6) Uani 1 1 d . . . . .
C514 C 0.8202(2) 0.09426(9) 0.36205(10) 0.0200(6) Uani 1 1 d . . . . .
H514 H 0.8467 0.0732 0.3387 0.024 Uiso 1 1 calc R U . . .
C515 C 0.7997(2) 0.14093(9) 0.34836(9) 0.0172(6) Uani 1 1 d . . . . .
H515 H 0.8158 0.1516 0.3162 0.021 Uiso 1 1 calc R U . . .
C516 C 0.8323(2) 0.02950(9) 0.42580(10) 0.0198(6) Uani 1 1 d . . . . .
H516 H 0.8569 0.0094 0.4011 0.024 Uiso 1 1 calc R U . . .
C517 C 0.8281(2) 0.01136(9) 0.47211(10) 0.0206(6) Uani 1 1 d . . . . .
H517 H 0.7980 0.0309 0.4958 0.025 Uiso 1 1 calc R U . . .
C518 C 0.8656(2) -0.03609(9) 0.48995(10) 0.0190(6) Uani 1 1 d . . . . .
C519 C 0.8570(2) -0.05002(9) 0.53977(11) 0.0231(6) Uani 1 1 d . . . . .
H519 H 0.8256 -0.0293 0.5618 0.028 Uiso 1 1 calc R U . . .
C520 C 0.8945(2) -0.09443(9) 0.55703(11) 0.0251(7) Uani 1 1 d . . . . .
H520 H 0.8882 -0.1031 0.5913 0.030 Uiso 1 1 calc R U . . .
C521 C 0.9469(3) -0.11194(10) 0.48060(11) 0.0269(7) Uani 1 1 d . . . . .
H521 H 0.9786 -0.1334 0.4594 0.032 Uiso 1 1 calc R U . . .
C522 C 0.9118(3) -0.06840(9) 0.45996(11) 0.0252(6) Uani 1 1 d . . . . .
H522 H 0.9193 -0.0607 0.4256 0.030 Uiso 1 1 calc R U . . .
N52 N 0.9390(2) -0.12570(8) 0.52842(9) 0.0245(5) Uani 1 1 d . . . . .
N61 N 0.82658(17) 0.25799(7) 0.43726(7) 0.0130(4) Uani 1 1 d . . . . .
C611 C 0.7853(2) 0.28636(8) 0.46978(9) 0.0148(5) Uani 1 1 d . . . . .
H611 H 0.7164 0.3027 0.4578 0.018 Uiso 1 1 calc R U . . .
C612 C 0.8391(2) 0.29302(9) 0.52062(9) 0.0162(5) Uani 1 1 d . . . . .
H612 H 0.8085 0.3142 0.5425 0.019 Uiso 1 1 calc R U . . .
C613 C 0.9381(2) 0.26841(9) 0.53902(9) 0.0176(6) Uani 1 1 d . . . . .
C614 C 0.9806(2) 0.23924(9) 0.50447(9) 0.0190(6) Uani 1 1 d . . . . .
H614 H 1.0488 0.2223 0.5156 0.023 Uiso 1 1 calc R U . . .
C615 C 0.9247(2) 0.23478(9) 0.45451(9) 0.0158(5) Uani 1 1 d . . . . .
H615 H 0.9556 0.2149 0.4315 0.019 Uiso 1 1 calc R U . . .
C616 C 0.9990(2) 0.26853(10) 0.59281(9) 0.0209(6) Uani 1 1 d . . . . .
H616 H 1.0691 0.2520 0.5987 0.025 Uiso 1 1 calc R U . . .
C617 C 0.9700(2) 0.28833(9) 0.63379(9) 0.0207(6) Uani 1 1 d . . . . .
H617 H 0.9040 0.3075 0.6296 0.025 Uiso 1 1 calc R U . . .
C618 C 1.0368(2) 0.28172(9) 0.68621(9) 0.0184(6) Uani 1 1 d . . . . .
C619 C 1.0101(2) 0.30682(10) 0.72760(10) 0.0223(6) Uani 1 1 d . . . . .
H619 H 0.9498 0.3290 0.7223 0.027 Uiso 1 1 calc R U . . .
C620 C 1.0710(2) 0.29957(9) 0.77664(9) 0.0172(6) Uani 1 1 d . . . . .
H620 H 1.0509 0.3168 0.8046 0.021 Uiso 1 1 calc R U . . .
C621 C 1.1853(2) 0.24481(9) 0.74658(9) 0.0166(5) Uani 1 1 d . . . . .
H621 H 1.2469 0.2233 0.7529 0.020 Uiso 1 1 calc R U . . .
C622 C 1.1267(2) 0.25019(9) 0.69641(9) 0.0200(6) Uani 1 1 d . . . . .
H622 H 1.1481 0.2324 0.6691 0.024 Uiso 1 1 calc R U . . .
N62 N 1.15799(17) 0.26887(7) 0.78610(7) 0.0138(5) Uani 1 1 d . . . . .
N71 N 0.3118(2) 0.14315(9) 0.72918(10) 0.0306(6) Uani 1 1 d . . . . .
C711 C 0.4234(3) 0.14282(10) 0.74575(12) 0.0316(7) Uani 1 1 d . . . . .
H711 H 0.4569 0.1697 0.7638 0.038 Uiso 1 1 calc R U . . .
C712 C 0.4935(3) 0.10574(10) 0.73828(12) 0.0293(7) Uani 1 1 d . . . . .
H712 H 0.5729 0.1078 0.7503 0.035 Uiso 1 1 calc R U . . .
C713 C 0.4468(2) 0.06528(9) 0.71300(10) 0.0233(6) Uani 1 1 d . . . . .
C714 C 0.3300(3) 0.06500(10) 0.69639(11) 0.0270(7) Uani 1 1 d . . . . .
H714 H 0.2937 0.0381 0.6795 0.032 Uiso 1 1 calc R U . . .
C715 C 0.2667(3) 0.10441(11) 0.70474(11) 0.0310(7) Uani 1 1 d . . . . .
H715 H 0.1873 0.1038 0.6924 0.037 Uiso 1 1 calc R U . . .
C716 C 0.5249(3) 0.02722(10) 0.70421(10) 0.0257(7) Uani 1 1 d . . . . .
H716 H 0.6036 0.0332 0.7147 0.031 Uiso 1 1 calc R U . . .
C717 C 0.4970(3) -0.01441(10) 0.68323(10) 0.0249(6) Uani 1 1 d . . . . .
H717 H 0.4187 -0.0214 0.6732 0.030 Uiso 1 1 calc R U . . .
C718 C 0.5798(2) -0.05058(9) 0.67446(10) 0.0225(6) Uani 1 1 d . . . . .
C719 C 0.6968(3) -0.04268(10) 0.68147(11) 0.0270(7) Uani 1 1 d . . . . .
H719 H 0.7271 -0.0128 0.6927 0.032 Uiso 1 1 calc R U . . .
C720 C 0.7676(3) -0.07842(10) 0.67198(11) 0.0279(7) Uani 1 1 d . . . . .
H720 H 0.8466 -0.0720 0.6770 0.033 Uiso 1 1 calc R U . . .
C721 C 0.6216(3) -0.12900(10) 0.64939(10) 0.0244(6) Uani 1 1 d . . . . .
H721 H 0.5938 -0.1592 0.6380 0.029 Uiso 1 1 calc R U . . .
C722 C 0.5435(3) -0.09532(10) 0.65792(11) 0.0248(6) Uani 1 1 d . . . . .
H722 H 0.4650 -0.1028 0.6524 0.030 Uiso 1 1 calc R U . . .
N72 N 0.7332(2) -0.12190(8) 0.65606(9) 0.0262(5) Uani 1 1 d . . . . .
N81 N 0.1137(3) 0.36894(12) 0.41039(17) 0.0685(13) Uani 1 1 d . . . . .
C811 C 0.0590(4) 0.36121(17) 0.45042(19) 0.0695(17) Uani 1 1 d . . . . .
H811 H 0.0462 0.3294 0.4589 0.083 Uiso 1 1 calc R U . . .
C812 C 0.0208(4) 0.39516(16) 0.47953(18) 0.0637(15) Uani 1 1 d . . . . .
H812 H -0.0174 0.3869 0.5070 0.076 Uiso 1 1 calc R U . . .
C813 C 0.0386(3) 0.44191(15) 0.46857(19) 0.0601(13) Uani 1 1 d . . . . .
C814 C 0.0942(4) 0.45091(15) 0.4262(2) 0.0654(14) Uani 1 1 d . . . . .
H814 H 0.1071 0.4824 0.4165 0.078 Uiso 1 1 calc R U . . .
C815 C 0.1285(4) 0.41457(17) 0.4001(2) 0.0705(15) Uani 1 1 d . . . . .
H815 H 0.1662 0.4217 0.3721 0.085 Uiso 1 1 calc R U . . .
C816 C -0.0044(4) 0.47726(16) 0.5023(2) 0.0733(16) Uani 1 1 d . . . . .
H816 H -0.0409 0.4658 0.5291 0.088 Uiso 1 1 calc R U . . .
Ga3 Ga 0.81803(3) 0.42767(2) 0.66174(2) 0.02702(9) Uani 1 1 d . . . . .
Cl5 Cl 0.99745(7) 0.43220(3) 0.69217(4) 0.0492(2) Uani 1 1 d . . . . .
Cl6 Cl 0.79506(8) 0.41735(3) 0.57818(3) 0.0420(2) Uani 1 1 d . . . . .
Cl7 Cl 0.73289(7) 0.49215(3) 0.67692(3) 0.03792(19) Uani 1 1 d . . . . .
Cl8 Cl 0.74213(6) 0.36730(3) 0.69322(3) 0.03176(17) Uani 1 1 d . . . . .
Ga4 Ga 0.88005(3) 0.08274(2) 0.66236(2) 0.02133(8) Uani 1 1 d . . . . .
Cl9 Cl 0.99671(6) 0.02313(2) 0.66730(3) 0.02972(16) Uani 1 1 d . . . . .
Cl10 Cl 0.96338(7) 0.14784(3) 0.64825(3) 0.03656(18) Uani 1 1 d . . . . .
Cl11 Cl 0.82199(6) 0.08716(2) 0.73633(3) 0.02676(15) Uani 1 1 d . . . . .
Cl12 Cl 0.73717(6) 0.07044(3) 0.60021(3) 0.0395(2) Uani 1 1 d . . . . .
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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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'
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
Cl1 Ga1 Cl2 176.44(2) . . ?
N11 Ga1 Cl1 91.96(6) . . ?
N11 Ga1 Cl2 91.34(6) . . ?
N11 Ga1 N31 177.12(7) . . ?
N21 Ga1 Cl1 89.15(6) . . ?
N21 Ga1 Cl2 89.54(7) . . ?
N21 Ga1 N11 89.10(7) . . ?
N21 Ga1 N22 176.59(8) . 4_565 ?
N21 Ga1 N31 93.72(7) . . ?
N22 Ga1 Cl1 91.05(6) 4_565 . ?
N22 Ga1 Cl2 90.46(6) 4_565 . ?
N22 Ga1 N11 87.49(7) 4_565 . ?
N22 Ga1 N31 89.69(7) 4_565 . ?
N31 Ga1 Cl1 88.69(6) . . ?
N31 Ga1 Cl2 88.09(6) . . ?
C111 N11 Ga1 120.93(17) . . ?
C115 N11 Ga1 121.10(16) . . ?
C115 N11 C111 117.7(2) . . ?
N11 C111 H111 118.5 . . ?
N11 C111 C112 122.9(2) . . ?
C112 C111 H111 118.5 . . ?
C111 C112 H112 120.3 . . ?
C111 C112 C113 119.4(2) . . ?
C113 C112 H112 120.3 . . ?
C112 C113 C116 122.3(2) . . ?
C114 C113 C112 117.5(2) . . ?
C114 C113 C116 120.1(2) . . ?
C113 C114 H114 119.9 . . ?
C115 C114 C113 120.1(2) . . ?
C115 C114 H114 119.9 . . ?
N11 C115 C114 122.2(2) . . ?
N11 C115 H115 118.9 . . ?
C114 C115 H115 118.9 . . ?
C113 C116 H116 117.8 . . ?
C117 C116 C113 124.5(3) . . ?
C117 C116 H116 117.8 . . ?
C116 C117 H117 116.7 . . ?
C116 C117 C118 126.6(3) . . ?
C118 C117 H117 116.7 . . ?
C119 C118 C117 120.2(3) . . ?
C119 C118 C122 116.7(3) . . ?
C122 C118 C117 123.1(3) . . ?
C118 C119 H119 120.0 . . ?
C118 C119 C120 119.9(3) . . ?
C120 C119 H119 120.0 . . ?
C119 C120 H120 118.2 . . ?
N12 C120 C119 123.6(4) . . ?
N12 C120 H120 118.2 . . ?
C122 C121 H121 117.9 . . ?
N12 C121 H121 117.9 . . ?
N12 C121 C122 124.1(4) . . ?
C118 C122 H122 120.3 . . ?
C121 C122 C118 119.5(3) . . ?
C121 C122 H122 120.3 . . ?
C121 N12 C120 116.2(3) . . ?
C211 N21 Ga1 118.99(15) . . ?
C215 N21 Ga1 122.18(17) . . ?
C215 N21 C211 118.51(19) . . ?
N21 C211 H211 118.6 . . ?
N21 C211 C212 122.8(2) . . ?
C212 C211 H211 118.6 . . ?
C211 C212 H212 120.3 . . ?
C211 C212 C213 119.5(2) . . ?
C213 C212 H212 120.3 . . ?
C212 C213 C216 122.2(2) . . ?
C214 C213 C212 117.2(2) . . ?
C214 C213 C216 120.5(2) . . ?
C213 C214 H214 119.9 . . ?
C215 C214 C213 120.3(2) . . ?
C215 C214 H214 119.9 . . ?
N21 C215 C214 121.8(2) . . ?
N21 C215 H215 119.1 . . ?
C214 C215 H215 119.1 . . ?
C213 C216 H216 118.4 . . ?
C217 C216 C213 123.3(2) . . ?
C217 C216 H216 118.4 . . ?
C216 C217 H217 116.5 . . ?
C216 C217 C218 127.0(2) . . ?
C218 C217 H217 116.5 . . ?
C219 C218 C217 119.1(2) . . ?
C222 C218 C217 123.4(2) . . ?
C222 C218 C219 117.5(2) . . ?
C218 C219 H219 120.0 . . ?
C220 C219 C218 120.0(2) . . ?
C220 C219 H219 120.0 . . ?
C219 C220 H220 119.1 . . ?
N22 C220 C219 121.9(2) . . ?
N22 C220 H220 119.1 . . ?
C222 C221 H221 118.8 . . ?
N22 C221 H221 118.8 . . ?
N22 C221 C222 122.4(2) . . ?
C218 C222 H222 120.4 . . ?
C221 C222 C218 119.2(2) . . ?
C221 C222 H222 120.4 . . ?
C220 N22 Ga1 120.64(16) . 4_666 ?
C221 N22 Ga1 120.49(14) . 4_666 ?
C221 N22 C220 118.76(19) . . ?
C311 N31 Ga1 121.76(17) . . ?
C315 N31 Ga1 119.75(16) . . ?
C315 N31 C311 118.5(2) . . ?
N31 C311 H311 119.2 . . ?
N31 C311 C312 121.6(2) . . ?
C312 C311 H311 119.2 . . ?
C311 C312 H312 119.8 . . ?
C311 C312 C313 120.3(2) . . ?
C313 C312 H312 119.8 . . ?
C312 C313 C314 117.4(2) . . ?
C312 C313 C316 119.6(2) . . ?
C314 C313 C316 123.1(2) . . ?
C313 C314 H314 120.3 . . ?
C315 C314 C313 119.4(2) . . ?
C315 C314 H314 120.3 . . ?
N31 C315 C314 122.7(2) . . ?
N31 C315 H315 118.6 . . ?
C314 C315 H315 118.6 . . ?
C313 C316 H316 117.3 . . ?
C316 C316 C313 125.4(3) 3_656 . ?
C316 C316 H316 117.3 3_656 . ?
Cl3 Ga2 Cl4 178.29(3) . . ?
N41 Ga2 Cl3 90.85(7) . . ?
N41 Ga2 Cl4 90.77(6) . . ?
N41 Ga2 N51 176.99(7) . . ?
N51 Ga2 Cl3 88.39(7) . . ?
N51 Ga2 Cl4 90.02(7) . . ?
N61 Ga2 Cl3 91.27(6) . . ?
N61 Ga2 Cl4 89.25(6) . . ?
N61 Ga2 N41 90.07(7) . . ?
N61 Ga2 N51 87.04(7) . . ?
N62 Ga2 Cl3 89.90(6) 4_565 . ?
N62 Ga2 Cl4 89.55(6) 4_565 . ?
N62 Ga2 N41 90.96(7) 4_565 . ?
N62 Ga2 N51 91.95(7) 4_565 . ?
N62 Ga2 N61 178.43(9) 4_565 . ?
C411 N41 Ga2 119.75(16) . . ?
C415 N41 Ga2 122.56(17) . . ?
C415 N41 C411 117.7(2) . . ?
N41 C411 H411 118.8 . . ?
N41 C411 C412 122.4(2) . . ?
C412 C411 H411 118.8 . . ?
C411 C412 H412 119.9 . . ?
C411 C412 C413 120.2(2) . . ?
C413 C412 H412 119.9 . . ?
C412 C413 C414 116.8(2) . . ?
C412 C413 C416 118.7(2) . . ?
C414 C413 C416 124.6(2) . . ?
C413 C414 H414 120.1 . . ?
C415 C414 C413 119.7(2) . . ?
C415 C414 H414 120.1 . . ?
N41 C415 C414 123.2(2) . . ?
N41 C415 H415 118.4 . . ?
C414 C415 H415 118.4 . . ?
C413 C416 H416 117.0 . . ?
C417 C416 C413 126.0(3) . . ?
C417 C416 H416 117.0 . . ?
C416 C417 H417 117.7 . . ?
C416 C417 C418 124.5(3) . . ?
C418 C417 H417 117.7 . . ?
C419 C418 C417 123.4(2) . . ?
C422 C418 C417 120.1(3) . . ?
C422 C418 C419 116.5(2) . . ?
C418 C419 H419 120.2 . . ?
C418 C419 C420 119.6(3) . . ?
C420 C419 H419 120.2 . . ?
C419 C420 H420 117.9 . . ?
N42 C420 C419 124.3(3) . . ?
N42 C420 H420 117.9 . . ?
C422 C421 H421 117.7 . . ?
N42 C421 H421 117.7 . . ?
N42 C421 C422 124.6(3) . . ?
C418 C422 C421 119.6(3) . . ?
C418 C422 H422 120.2 . . ?
C421 C422 H422 120.2 . . ?
C421 N42 C420 115.5(2) . . ?
C511 N51 Ga2 119.48(16) . . ?
C515 N51 Ga2 122.20(17) . . ?
C515 N51 C511 118.0(2) . . ?
N51 C511 H511 118.6 . . ?
N51 C511 C512 122.8(2) . . ?
C512 C511 H511 118.6 . . ?
C511 C512 H512 120.2 . . ?
C511 C512 C513 119.6(2) . . ?
C513 C512 H512 120.2 . . ?
C512 C513 C516 122.8(2) . . ?
C514 C513 C512 117.1(2) . . ?
C514 C513 C516 120.2(3) . . ?
C513 C514 H514 119.8 . . ?
C515 C514 C513 120.3(3) . . ?
C515 C514 H514 119.8 . . ?
N51 C515 C514 122.1(3) . . ?
N51 C515 H515 118.9 . . ?
C514 C515 H515 118.9 . . ?
C513 C516 H516 117.3 . . ?
C517 C516 C513 125.4(3) . . ?
C517 C516 H516 117.3 . . ?
C516 C517 H517 117.0 . . ?
C516 C517 C518 125.9(3) . . ?
C518 C517 H517 117.0 . . ?
C519 C518 C517 119.5(3) . . ?
C522 C518 C517 123.7(3) . . ?
C522 C518 C519 116.8(2) . . ?
C518 C519 H519 120.2 . . ?
C520 C519 C518 119.6(3) . . ?
C520 C519 H519 120.2 . . ?
C519 C520 H520 118.0 . . ?
N52 C520 C519 123.9(3) . . ?
N52 C520 H520 118.0 . . ?
C522 C521 H521 117.9 . . ?
N52 C521 H521 117.9 . . ?
N52 C521 C522 124.3(3) . . ?
C518 C522 H522 120.3 . . ?
C521 C522 C518 119.4(3) . . ?
C521 C522 H522 120.3 . . ?
C520 N52 C521 116.0(2) . . ?
C611 N61 Ga2 122.38(15) . . ?
C611 N61 C615 118.53(19) . . ?
C615 N61 Ga2 119.01(16) . . ?
N61 C611 H611 118.7 . . ?
N61 C611 C612 122.5(2) . . ?
C612 C611 H611 118.7 . . ?
C611 C612 H612 120.3 . . ?
C613 C612 C611 119.3(2) . . ?
C613 C612 H612 120.3 . . ?
C612 C613 C614 117.4(2) . . ?
C612 C613 C616 125.6(3) . . ?
C614 C613 C616 116.9(2) . . ?
C613 C614 H614 119.7 . . ?
C615 C614 C613 120.6(2) . . ?
C615 C614 H614 119.7 . . ?
N61 C615 C614 121.6(2) . . ?
N61 C615 H615 119.2 . . ?
C614 C615 H615 119.2 . . ?
C613 C616 H616 115.5 . . ?
C617 C616 C613 129.0(3) . . ?
C617 C616 H616 115.5 . . ?
C616 C617 H617 118.9 . . ?
C616 C617 C618 122.1(2) . . ?
C618 C617 H617 118.9 . . ?
C619 C618 C617 120.4(2) . . ?
C619 C618 C622 117.3(2) . . ?
C622 C618 C617 122.4(2) . . ?
C618 C619 H619 120.0 . . ?
C620 C619 C618 120.0(2) . . ?
C620 C619 H619 120.0 . . ?
C619 C620 H620 118.9 . . ?
N62 C620 C619 122.2(2) . . ?
N62 C620 H620 118.9 . . ?
C622 C621 H621 118.9 . . ?
N62 C621 H621 118.9 . . ?
N62 C621 C622 122.2(2) . . ?
C618 C622 H622 120.1 . . ?
C621 C622 C618 119.9(2) . . ?
C621 C622 H622 120.1 . . ?
C620 N62 Ga2 121.15(17) . 4_666 ?
C621 N62 Ga2 120.23(16) . 4_666 ?
C621 N62 C620 118.42(19) . . ?
C711 N71 C715 116.6(3) . . ?
N71 C711 H711 118.0 . . ?
N71 C711 C712 124.0(3) . . ?
C712 C711 H711 118.0 . . ?
C711 C712 H712 120.2 . . ?
C711 C712 C713 119.6(3) . . ?
C713 C712 H712 120.2 . . ?
C712 C713 C716 117.9(3) . . ?
C714 C713 C712 116.8(3) . . ?
C714 C713 C716 125.3(3) . . ?
C713 C714 H714 120.3 . . ?
C715 C714 C713 119.5(3) . . ?
C715 C714 H714 120.3 . . ?
N71 C715 C714 123.5(3) . . ?
N71 C715 H715 118.2 . . ?
C714 C715 H715 118.2 . . ?
C713 C716 H716 116.6 . . ?
C717 C716 C713 126.9(3) . . ?
C717 C716 H716 116.6 . . ?
C716 C717 H717 118.0 . . ?
C716 C717 C718 124.1(3) . . ?
C718 C717 H717 118.0 . . ?
C719 C718 C717 123.7(3) . . ?
C722 C718 C717 120.2(3) . . ?
C722 C718 C719 116.1(3) . . ?
C718 C719 H719 120.2 . . ?
C720 C719 C718 119.6(3) . . ?
C720 C719 H719 120.2 . . ?
C719 C720 H720 117.6 . . ?
N72 C720 C719 124.8(3) . . ?
N72 C720 H720 117.6 . . ?
C722 C721 H721 117.8 . . ?
N72 C721 H721 117.8 . . ?
N72 C721 C722 124.5(3) . . ?
C718 C722 H722 120.0 . . ?
C721 C722 C718 120.0(3) . . ?
C721 C722 H722 120.0 . . ?
C721 N72 C720 115.1(3) . . ?
C815 N81 C811 114.5(5) . . ?
N81 C811 H811 117.2 . . ?
N81 C811 C812 125.5(4) . . ?
C812 C811 H811 117.2 . . ?
C811 C812 H812 120.5 . . ?
C811 C812 C813 118.9(5) . . ?
C813 C812 H812 120.5 . . ?
C812 C813 C814 116.6(5) . . ?
C812 C813 C816 116.1(5) . . ?
C814 C813 C816 127.3(4) . . ?
C813 C814 H814 120.2 . . ?
C815 C814 C813 119.5(4) . . ?
C815 C814 H814 120.2 . . ?
N81 C815 C814 125.0(5) . . ?
N81 C815 H815 117.5 . . ?
C814 C815 H815 117.5 . . ?
C813 C816 H816 117.6 . . ?
C816 C816 C813 124.7(7) 3_566 . ?
C816 C816 H816 117.6 3_566 . ?
Cl5 Ga3 Cl6 108.72(4) . . ?
Cl5 Ga3 Cl7 110.56(4) . . ?
Cl5 Ga3 Cl8 111.20(4) . . ?
Cl7 Ga3 Cl6 108.58(3) . . ?
Cl7 Ga3 Cl8 110.75(4) . . ?
Cl8 Ga3 Cl6 106.91(3) . . ?
Cl10 Ga4 Cl9 111.25(3) . . ?
Cl10 Ga4 Cl11 109.46(3) . . ?
Cl10 Ga4 Cl12 109.48(3) . . ?
Cl11 Ga4 Cl9 107.01(3) . . ?
Cl12 Ga4 Cl9 109.30(3) . . ?
Cl12 Ga4 Cl11 110.31(3) . . ?
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 Cl1 2.2985(7) . ?
Ga1 Cl2 2.3259(7) . ?
Ga1 N11 2.104(2) . ?
Ga1 N21 2.0941(17) . ?
Ga1 N22 2.1021(17) 4_565 ?
Ga1 N31 2.109(2) . ?
N11 C111 1.349(3) . ?
N11 C115 1.349(3) . ?
C111 H111 0.9500 . ?
C111 C112 1.376(4) . ?
C112 H112 0.9500 . ?
C112 C113 1.390(4) . ?
C113 C114 1.390(4) . ?
C113 C116 1.472(4) . ?
C114 H114 0.9500 . ?
C114 C115 1.376(4) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C116 C117 1.321(4) . ?
C117 H117 0.9500 . ?
C117 C118 1.463(4) . ?
C118 C119 1.380(5) . ?
C118 C122 1.392(5) . ?
C119 H119 0.9500 . ?
C119 C120 1.392(4) . ?
C120 H120 0.9500 . ?
C120 N12 1.334(5) . ?
C121 H121 0.9500 . ?
C121 C122 1.385(4) . ?
C121 N12 1.332(5) . ?
C122 H122 0.9500 . ?
N21 C211 1.342(3) . ?
N21 C215 1.341(3) . ?
C211 H211 0.9500 . ?
C211 C212 1.378(3) . ?
C212 H212 0.9500 . ?
C212 C213 1.396(4) . ?
C213 C214 1.394(4) . ?
C213 C216 1.472(3) . ?
C214 H214 0.9500 . ?
C214 C215 1.383(3) . ?
C215 H215 0.9500 . ?
C216 H216 0.9500 . ?
C216 C217 1.324(4) . ?
C217 H217 0.9500 . ?
C217 C218 1.470(3) . ?
C218 C219 1.397(4) . ?
C218 C222 1.395(3) . ?
C219 H219 0.9500 . ?
C219 C220 1.378(3) . ?
C220 H220 0.9500 . ?
C220 N22 1.350(3) . ?
C221 H221 0.9500 . ?
C221 C222 1.390(3) . ?
C221 N22 1.337(3) . ?
C222 H222 0.9500 . ?
N22 Ga1 2.1021(17) 4_666 ?
N31 C311 1.349(3) . ?
N31 C315 1.343(3) . ?
C311 H311 0.9500 . ?
C311 C312 1.382(3) . ?
C312 H312 0.9500 . ?
C312 C313 1.392(4) . ?
C313 C314 1.395(4) . ?
C313 C316 1.464(3) . ?
C314 H314 0.9500 . ?
C314 C315 1.379(3) . ?
C315 H315 0.9500 . ?
C316 C316 1.329(5) 3_656 ?
C316 H316 0.9500 . ?
Ga2 Cl3 2.2893(8) . ?
Ga2 Cl4 2.3073(8) . ?
Ga2 N41 2.122(2) . ?
Ga2 N51 2.141(2) . ?
Ga2 N61 2.1159(17) . ?
Ga2 N62 2.0863(18) 4_565 ?
N41 C411 1.347(3) . ?
N41 C415 1.346(3) . ?
C411 H411 0.9500 . ?
C411 C412 1.383(4) . ?
C412 H412 0.9500 . ?
C412 C413 1.398(4) . ?
C413 C414 1.401(4) . ?
C413 C416 1.472(4) . ?
C414 H414 0.9500 . ?
C414 C415 1.378(4) . ?
C415 H415 0.9500 . ?
C416 H416 0.9500 . ?
C416 C417 1.331(4) . ?
C417 H417 0.9500 . ?
C417 C418 1.478(4) . ?
C418 C419 1.388(4) . ?
C418 C422 1.385(4) . ?
C419 H419 0.9500 . ?
C419 C420 1.390(4) . ?
C420 H420 0.9500 . ?
C420 N42 1.334(4) . ?
C421 H421 0.9500 . ?
C421 C422 1.386(4) . ?
C421 N42 1.331(4) . ?
C422 H422 0.9500 . ?
N51 C511 1.346(3) . ?
N51 C515 1.346(3) . ?
C511 H511 0.9500 . ?
C511 C512 1.382(3) . ?
C512 H512 0.9500 . ?
C512 C513 1.400(4) . ?
C513 C514 1.391(4) . ?
C513 C516 1.466(3) . ?
C514 H514 0.9500 . ?
C514 C515 1.384(4) . ?
C515 H515 0.9500 . ?
C516 H516 0.9500 . ?
C516 C517 1.333(4) . ?
C517 H517 0.9500 . ?
C517 C518 1.471(3) . ?
C518 C519 1.391(4) . ?
C518 C522 1.388(4) . ?
C519 H519 0.9500 . ?
C519 C520 1.388(4) . ?
C520 H520 0.9500 . ?
C520 N52 1.334(4) . ?
C521 H521 0.9500 . ?
C521 C522 1.386(4) . ?
C521 N52 1.337(4) . ?
C522 H522 0.9500 . ?
N61 C611 1.333(3) . ?
N61 C615 1.355(3) . ?
C611 H611 0.9500 . ?
C611 C612 1.392(3) . ?
C612 H612 0.9500 . ?
C612 C613 1.387(4) . ?
C613 C614 1.392(4) . ?
C613 C616 1.474(3) . ?
C614 H614 0.9500 . ?
C614 C615 1.372(3) . ?
C615 H615 0.9500 . ?
C616 H616 0.9500 . ?
C616 C617 1.317(4) . ?
C617 H617 0.9500 . ?
C617 C618 1.480(3) . ?
C618 C619 1.386(4) . ?
C618 C622 1.390(4) . ?
C619 H619 0.9500 . ?
C619 C620 1.381(3) . ?
C620 H620 0.9500 . ?
C620 N62 1.348(3) . ?
C621 H621 0.9500 . ?
C621 C622 1.390(3) . ?
C621 N62 1.333(3) . ?
C622 H622 0.9500 . ?
N62 Ga2 2.0863(17) 4_666 ?
N71 C711 1.332(4) . ?
N71 C715 1.339(4) . ?
C711 H711 0.9500 . ?
C711 C712 1.382(4) . ?
C712 H712 0.9500 . ?
C712 C713 1.394(4) . ?
C713 C714 1.391(4) . ?
C713 C716 1.474(4) . ?
C714 H714 0.9500 . ?
C714 C715 1.390(4) . ?
C715 H715 0.9500 . ?
C716 H716 0.9500 . ?
C716 C717 1.323(4) . ?
C717 H717 0.9500 . ?
C717 C718 1.475(4) . ?
C718 C719 1.399(4) . ?
C718 C722 1.388(4) . ?
C719 H719 0.9500 . ?
C719 C720 1.373(4) . ?
C720 H720 0.9500 . ?
C720 N72 1.345(4) . ?
C721 H721 0.9500 . ?
C721 C722 1.384(4) . ?
C721 N72 1.334(4) . ?
C722 H722 0.9500 . ?
N81 C811 1.353(6) . ?
N81 C815 1.342(6) . ?
C811 H811 0.9500 . ?
C811 C812 1.360(7) . ?
C812 H812 0.9500 . ?
C812 C813 1.383(6) . ?
C813 C814 1.419(7) . ?
C813 C816 1.491(7) . ?
C814 H814 0.9500 . ?
C814 C815 1.345(7) . ?
C815 H815 0.9500 . ?
C816 C816 1.303(9) 3_566 ?
C816 H816 0.9500 . ?
Ga3 Cl5 2.1614(8) . ?
Ga3 Cl6 2.1874(8) . ?
Ga3 Cl7 2.1672(8) . ?
Ga3 Cl8 2.1719(9) . ?
Ga4 Cl9 2.1844(7) . ?
Ga4 Cl10 2.1641(8) . ?
Ga4 Cl11 2.1833(8) . ?
Ga4 Cl12 2.1771(7) . ?
