#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179320 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/17/4321741.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_4321741
loop_
_publ_author_name
'Joel S. Silverman'
'Claire J. Carmalt'
'Alan H. Cowley'
'Robert D. Culp'
'Richard A. Jones'
'Brian G. McBurnett'
_publ_section_title
;
 Synthesis and Structural Characterization of Some Monomeric Group 13
 Amides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              296
_journal_page_last               300
_journal_paper_doi               10.1021/ic980619q
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C41 H59 Ga N4'
_chemical_formula_weight         677.64
_chemical_name_systematic
; 
     {Tris[(2,6-di-isopropylphenyl)amido]}gallium(III)pyridine
;
_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
_cell_angle_alpha                100.60(2)
_cell_angle_beta                 102.80(2)
_cell_angle_gamma                90.25(2)
_cell_formula_units_Z            6
_cell_length_a                   11.569(2)
_cell_length_b                   22.130(6)
_cell_length_c                   24.920(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_volume                     6109(2)
_computing_cell_refinement       'Enraf Nonius Express'
_computing_data_collection       'Enraf Nonius Express'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Enraf Nonius CAD4'
_diffrn_measurement_method       '2θ-θ scans'
_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  0.0802
_diffrn_reflns_av_sigmaI/netI    0.2936
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            18841
_diffrn_reflns_theta_max         22.48
_diffrn_reflns_theta_min         2.26
_diffrn_standards_interval_time  1800
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.706
_exptl_absorpt_correction_T_max  0.43760
_exptl_absorpt_correction_T_min  0.94886
_exptl_absorpt_correction_type   SHELXA
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.105
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2184
_exptl_crystal_size_max          0.69
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.41
_refine_diff_density_max         0.386
_refine_diff_density_min         -0.332
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.992
_refine_ls_goodness_of_fit_obs   1.159
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1255
_refine_ls_number_reflns         15916
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_restrained_S_obs      1.159
_refine_ls_R_factor_all          0.2618
_refine_ls_R_factor_obs          0.0621
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0070P)²+7.1891P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1266
_refine_ls_wR_factor_obs         0.0818
_reflns_number_observed          5779
_reflns_number_total             15924
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic980619q_2.cif
_cod_data_source_block           compound8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0070P)^2^+7.1891P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0070P)^2^+7.1891P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        6108.3(25)
_cod_database_code               4321741
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ga1 Ga 0.72443(8) 0.58555(4) 0.38284(4) 0.0587(3) Uani 1 d . .
N1 N 0.5735(5) 0.5653(3) 0.3923(2) 0.066(2) Uani 1 d . .
H1N H 0.5757(5) 0.5269(3) 0.3995(2) 0.056(15) Uiso 1 d R .
N2 N 0.7130(5) 0.6263(2) 0.3223(2) 0.057(2) Uani 1 d . .
H2N H 0.6357(5) 0.6227(2) 0.3049(2) 0.056(15) Uiso 1 d R .
N3 N 0.8392(5) 0.5266(3) 0.3939(2) 0.070(2) Uani 1 d . .
H3N H 0.8874(5) 0.5315(3) 0.3710(2) 0.056(15) Uiso 1 d R .
N4 N 0.7998(5) 0.6526(3) 0.4503(3) 0.070(2) Uani 1 d . .
C1 C 0.4735(7) 0.5661(4) 0.3478(3) 0.064(2) Uani 1 d . .
C2 C 0.4187(7) 0.5114(4) 0.3129(3) 0.072(3) Uani 1 d . .
C3 C 0.3243(7) 0.5171(4) 0.2699(4) 0.102(4) Uani 1 d . .
H3 H 0.2872(7) 0.4814(4) 0.2466(4) 0.098(9) Uiso 1 calc R .
C4 C 0.2821(7) 0.5723(4) 0.2596(3) 0.092(3) Uani 1 d . .
H4 H 0.2200(7) 0.5743(4) 0.2291(3) 0.098(9) Uiso 1 calc R .
C5 C 0.3341(7) 0.6249(4) 0.2954(3) 0.075(3) Uani 1 d . .
H5 H 0.3052(7) 0.6629(4) 0.2896(3) 0.098(9) Uiso 1 calc R .
C6 C 0.4274(7) 0.6226(4) 0.3394(3) 0.062(2) Uani 1 d . .
C7 C 0.4597(8) 0.4496(4) 0.3222(4) 0.122(5) Uani 1 d . .
H7 H 0.5299(8) 0.4559(4) 0.3533(4) 0.079(12) Uiso 1 calc R .
C8 C 0.3687(11) 0.4136(4) 0.3382(5) 0.217(7) Uani 1 d . .
H8A H 0.3456(11) 0.4372(4) 0.3702(5) 0.208(9) Uiso 1 calc R .
H8B H 0.4009(11) 0.3759(4) 0.3474(5) 0.208(9) Uiso 1 calc R .
H8C H 0.3006(11) 0.4044(4) 0.3075(5) 0.208(9) Uiso 1 calc R .
C9 C 0.4943(9) 0.4122(4) 0.2727(5) 0.195(7) Uani 1 d . .
H9A H 0.5533(9) 0.4350(4) 0.2618(5) 0.208(9) Uiso 1 calc R .
H9B H 0.4259(9) 0.4030(4) 0.2421(5) 0.208(9) Uiso 1 calc R .
H9C H 0.5262(9) 0.3745(4) 0.2820(5) 0.208(9) Uiso 1 calc R .
C10 C 0.4745(7) 0.6813(3) 0.3802(3) 0.075(3) Uani 1 d . .
H10 H 0.5590(7) 0.6758(3) 0.3947(3) 0.079(12) Uiso 1 calc R .
C11 C 0.4195(8) 0.6910(4) 0.4300(4) 0.153(5) Uani 1 d . .
H11A H 0.4240(8) 0.6542(4) 0.4454(4) 0.208(9) Uiso 1 calc R .
H11B H 0.3379(8) 0.7005(4) 0.4186(4) 0.208(9) Uiso 1 calc R .
H11C H 0.4614(8) 0.7244(4) 0.4578(4) 0.208(9) Uiso 1 calc R .
C12 C 0.4686(9) 0.7386(3) 0.3551(4) 0.141(4) Uani 1 d . .
H12A H 0.5042(9) 0.7317(3) 0.3233(4) 0.208(9) Uiso 1 calc R .
H12B H 0.5106(9) 0.7722(3) 0.3827(4) 0.208(9) Uiso 1 calc R .
H12C H 0.3872(9) 0.7483(3) 0.3435(4) 0.208(9) Uiso 1 calc R .
C13 C 0.7757(7) 0.6111(3) 0.2800(3) 0.063(2) Uani 1 d . .
C14 C 0.7199(7) 0.5828(3) 0.2247(3) 0.065(3) Uani 1 d . .
C15 C 0.7868(8) 0.5673(4) 0.1850(3) 0.090(3) Uani 1 d . .
H15 H 0.7499(8) 0.5479(4) 0.1489(3) 0.098(9) Uiso 1 calc R .
C16 C 0.9083(8) 0.5804(4) 0.1984(4) 0.101(3) Uani 1 d . .
H16 H 0.9530(8) 0.5694(4) 0.1717(4) 0.098(9) Uiso 1 calc R .
C17 C 0.9614(7) 0.6097(4) 0.2515(3) 0.091(3) Uani 1 d . .
H17 H 1.0426(7) 0.6190(4) 0.2603(3) 0.098(9) Uiso 1 calc R .
C18 C 0.8983(7) 0.6259(3) 0.2927(3) 0.069(3) Uani 1 d . .
C19 C 0.5883(7) 0.5699(4) 0.2080(3) 0.083(3) Uani 1 d . .
H19 H 0.5630(7) 0.5602(4) 0.2406(3) 0.079(12) Uiso 1 calc R .
C20 C 0.5255(7) 0.6265(4) 0.1934(3) 0.116(4) Uani 1 d . .
H20A H 0.4414(7) 0.6174(4) 0.1828(3) 0.208(9) Uiso 1 calc R .
H20B H 0.5517(7) 0.6384(4) 0.1628(3) 0.208(9) Uiso 1 calc R .
H20C H 0.5435(7) 0.6595(4) 0.2254(3) 0.208(9) Uiso 1 calc R .
C21 C 0.5470(8) 0.5158(4) 0.1595(4) 0.148(5) Uani 1 d . .
H21A H 0.4621(8) 0.5107(4) 0.1515(4) 0.208(9) Uiso 1 calc R .
H21B H 0.5817(8) 0.4790(4) 0.1696(4) 0.208(9) Uiso 1 calc R .
H21C H 0.5712(8) 0.5238(4) 0.1270(4) 0.208(9) Uiso 1 calc R .
C22 C 0.9586(7) 0.6648(4) 0.3480(3) 0.085(3) Uani 1 d . .
H22 H 0.9104(7) 0.6598(4) 0.3748(3) 0.079(12) Uiso 1 calc R .
C23 C 0.9596(11) 0.7305(4) 0.3442(4) 0.195(7) Uani 1 d . .
H23A H 0.9984(11) 0.7546(4) 0.3799(4) 0.208(9) Uiso 1 calc R .
H23B H 0.8795(11) 0.7429(4) 0.3340(4) 0.208(9) Uiso 1 calc R .
H23C H 1.0016(11) 0.7368(4) 0.3164(4) 0.208(9) Uiso 1 calc R .
C24 C 1.0818(7) 0.6471(5) 0.3720(4) 0.146(4) Uani 1 d . .
H24A H 1.0804(7) 0.6043(5) 0.3743(4) 0.208(9) Uiso 1 calc R .
H24B H 1.1105(7) 0.6714(5) 0.4087(4) 0.208(9) Uiso 1 calc R .
H24C H 1.1333(7) 0.6543(5) 0.3482(4) 0.208(9) Uiso 1 calc R .
C25 C 0.8151(7) 0.4616(4) 0.3846(3) 0.071(3) Uani 1 d . .
C26 C 0.8425(7) 0.4237(4) 0.3379(4) 0.075(3) Uani 1 d . .
C27 C 0.8237(8) 0.3613(4) 0.3327(4) 0.102(4) Uani 1 d . .
H27 H 0.8403(8) 0.3352(4) 0.3019(4) 0.098(9) Uiso 1 calc R .
C28 C 0.7814(8) 0.3363(4) 0.3713(4) 0.124(5) Uani 1 d . .
H28 H 0.7711(8) 0.2939(4) 0.3670(4) 0.098(9) Uiso 1 calc R .
C29 C 0.7545(8) 0.3743(4) 0.4164(4) 0.108(4) Uani 1 d . .
H29 H 0.7235(8) 0.3572(4) 0.4419(4) 0.098(9) Uiso 1 calc R .
C30 C 0.7720(7) 0.4368(4) 0.4247(4) 0.074(3) Uani 1 d . .
C31 C 0.8859(8) 0.4472(4) 0.2924(3) 0.089(3) Uani 1 d . .
H31 H 0.8627(8) 0.4899(4) 0.2938(3) 0.079(12) Uiso 1 calc R .
C32 C 1.0200(8) 0.4481(5) 0.3037(4) 0.159(5) Uani 1 d . .
H32A H 1.0462(8) 0.4631(5) 0.2744(4) 0.208(9) Uiso 1 calc R .
H32B H 1.0461(8) 0.4071(5) 0.3049(4) 0.208(9) Uiso 1 calc R .
H32C H 1.0528(8) 0.4745(5) 0.3391(4) 0.208(9) Uiso 1 calc R .
C33 C 0.8336(8) 0.4123(4) 0.2335(3) 0.136(4) Uani 1 d . .
H33A H 0.8654(8) 0.4300(4) 0.2071(3) 0.208(9) Uiso 1 calc R .
H33B H 0.7489(8) 0.4149(4) 0.2253(3) 0.208(9) Uiso 1 calc R .
H33C H 0.8534(8) 0.3700(4) 0.2308(3) 0.208(9) Uiso 1 calc R .
C34 C 0.7489(7) 0.4763(4) 0.4772(3) 0.082(3) Uani 1 d . .
H34 H 0.7364(7) 0.5182(4) 0.4700(3) 0.079(12) Uiso 1 calc R .
C35 C 0.8534(8) 0.4793(5) 0.5256(4) 0.166(5) Uani 1 d . .
H35A H 0.8363(8) 0.5046(5) 0.5583(4) 0.208(9) Uiso 1 calc R .
H35B H 0.9216(8) 0.4966(5) 0.5169(4) 0.208(9) Uiso 1 calc R .
H35C H 0.8691(8) 0.4386(5) 0.5326(4) 0.208(9) Uiso 1 calc R .
C36 C 0.6402(8) 0.4548(4) 0.4943(4) 0.150(5) Uani 1 d . .
H36A H 0.5722(8) 0.4526(4) 0.4637(4) 0.208(9) Uiso 1 calc R .
H36B H 0.6273(8) 0.4833(4) 0.5262(4) 0.208(9) Uiso 1 calc R .
H36C H 0.6523(8) 0.4148(4) 0.5037(4) 0.208(9) Uiso 1 calc R .
C37 C 0.8665(8) 0.6400(4) 0.4953(4) 0.111(4) Uani 1 d . .
H37 H 0.8812(8) 0.5990(4) 0.4968(4) 0.098(9) Uiso 1 calc R .
C38 C 0.9173(10) 0.6847(5) 0.5415(4) 0.160(6) Uani 1 d . .
H38 H 0.9617(10) 0.6736(5) 0.5738(4) 0.098(9) Uiso 1 calc R .
C39 C 0.9017(10) 0.7433(5) 0.5389(4) 0.149(7) Uani 1 d . .
H39 H 0.9393(10) 0.7741(5) 0.5685(4) 0.098(9) Uiso 1 calc R .
C40 C 0.8309(8) 0.7579(4) 0.4931(4) 0.131(5) Uani 1 d . .
H40 H 0.8147(8) 0.7987(4) 0.4912(4) 0.098(9) Uiso 1 calc R .
C41 C 0.7832(7) 0.7116(4) 0.4492(4) 0.100(4) Uani 1 d . .
H41 H 0.7368(7) 0.7220(4) 0.4169(4) 0.098(9) Uiso 1 calc R .
Ga2 Ga 0.93120(8) 0.75284(4) 0.03577(3) 0.0616(3) Uani 1 d . .
N101 N 0.8221(5) 0.7685(3) -0.0265(2) 0.071(2) Uani 1 d . .
H1NB H 0.8035(5) 0.7318(3) -0.0498(2) 0.108(23) Uiso 1 d R .
N102 N 1.0611(5) 0.8089(3) 0.0563(2) 0.068(2) Uani 1 d . .
H2NB H 1.0542(5) 0.8296(3) 0.0279(2) 0.108(23) Uiso 1 d R .
N103 N 0.9589(5) 0.6696(2) 0.0344(2) 0.069(2) Uani 1 d . .
H3NB H 1.0373(5) 0.6679(2) 0.0483(2) 0.108(23) Uiso 1 d R .
N104 N 0.8521(6) 0.7684(3) 0.1035(2) 0.073(2) Uani 1 d . .
C101 C 0.8456(7) 0.8090(4) -0.0600(3) 0.066(3) Uani 1 d . .
C102 C 0.8780(7) 0.7902(4) -0.1119(4) 0.081(3) Uani 1 d . .
C103 C 0.8983(8) 0.8338(4) -0.1427(4) 0.118(4) Uani 1 d . .
H103 H 0.9176(8) 0.8208(4) -0.1771(4) 0.109(9) Uiso 1 calc R .
C104 C 0.8910(8) 0.8943(4) -0.1240(4) 0.118(4) Uani 1 d . .
H104 H 0.9077(8) 0.9229(4) -0.1447(4) 0.109(9) Uiso 1 calc R .
C105 C 0.8592(8) 0.9132(4) -0.0751(4) 0.100(3) Uani 1 d . .
H105 H 0.8518(8) 0.9550(4) -0.0627(4) 0.109(9) Uiso 1 calc R .
C106 C 0.8377(7) 0.8725(4) -0.0432(3) 0.076(3) Uani 1 d . .
C107 C 0.8919(9) 0.7227(4) -0.1327(4) 0.116(4) Uani 1 d . .
H107 H 0.9020(9) 0.7028(4) -0.1001(4) 0.076(12) Uiso 1 calc R .
C108 C 0.7856(12) 0.6944(5) -0.1719(5) 0.260(10) Uani 1 d . .
H10A H 0.7179(12) 0.7043(5) -0.1561(5) 0.231(10) Uiso 1 calc R .
H10B H 0.7919(12) 0.6506(5) -0.1794(5) 0.231(10) Uiso 1 calc R .
H10C H 0.7763(12) 0.7097(5) -0.2062(5) 0.231(10) Uiso 1 calc R .
C109 C 0.9932(12) 0.7072(5) -0.1575(6) 0.293(11) Uani 1 d . .
H10D H 1.0645(12) 0.7257(5) -0.1320(6) 0.231(10) Uiso 1 calc R .
H10E H 0.9831(12) 0.7224(5) -0.1919(6) 0.231(10) Uiso 1 calc R .
H10F H 0.9988(12) 0.6633(5) -0.1651(6) 0.231(10) Uiso 1 calc R .
C110 C 0.7922(8) 0.8983(4) 0.0091(3) 0.098(3) Uani 1 d . .
H110 H 0.7924(8) 0.8646(4) 0.0297(3) 0.076(12) Uiso 1 calc R .
C111 C 0.6673(9) 0.9158(6) -0.0057(4) 0.223(8) Uani 1 d . .
H11D H 0.6203(9) 0.8822(6) -0.0311(4) 0.231(10) Uiso 1 calc R .
H11E H 0.6635(9) 0.9512(6) -0.0233(4) 0.231(10) Uiso 1 calc R .
H11F H 0.6372(9) 0.9255(6) 0.0276(4) 0.231(10) Uiso 1 calc R .
C112 C 0.8673(10) 0.9499(4) 0.0486(4) 0.165(5) Uani 1 d . .
H11G H 0.9478(10) 0.9377(4) 0.0578(4) 0.231(10) Uiso 1 calc R .
H11H H 0.8380(10) 0.9597(4) 0.0822(4) 0.231(10) Uiso 1 calc R .
H11I H 0.8644(10) 0.9853(4) 0.0313(4) 0.231(10) Uiso 1 calc R .
C113 C 1.1806(8) 0.7910(3) 0.0669(3) 0.074(3) Uani 1 d . .
C114 C 1.2522(8) 0.7998(4) 0.0310(4) 0.087(3) Uani 1 d . .
C115 C 1.3709(9) 0.7825(4) 0.0424(4) 0.116(4) Uani 1 d . .
H115 H 1.4202(9) 0.7890(4) 0.0190(4) 0.109(9) Uiso 1 calc R .
C116 C 1.4142(8) 0.7556(4) 0.0890(4) 0.117(5) Uani 1 d . .
H116 H 1.4923(8) 0.7438(4) 0.0963(4) 0.109(9) Uiso 1 calc R .
C117 C 1.3439(8) 0.7466(4) 0.1234(4) 0.109(4) Uani 1 d . .
H117 H 1.3734(8) 0.7282(4) 0.1540(4) 0.109(9) Uiso 1 calc R .
C118 C 1.2256(8) 0.7648(3) 0.1133(3) 0.075(3) Uani 1 d . .
C119 C 1.2126(9) 0.8260(4) -0.0205(4) 0.113(4) Uani 1 d . .
H119 H 1.1292(9) 0.8123(4) -0.0362(4) 0.076(12) Uiso 1 calc R .
C120 C 1.2167(10) 0.8948(5) -0.0051(4) 0.185(6) Uani 1 d . .
H12D H 1.1911(10) 0.9118(5) -0.0383(4) 0.231(10) Uiso 1 calc R .
H12E H 1.2964(10) 0.9097(5) 0.0131(4) 0.231(10) Uiso 1 calc R .
H12F H 1.1651(10) 0.9071(5) 0.0199(4) 0.231(10) Uiso 1 calc R .
C121 C 1.2770(10) 0.8099(6) -0.0668(4) 0.219(7) Uani 1 d . .
H12G H 1.2422(10) 0.8299(6) -0.0972(4) 0.231(10) Uiso 1 calc R .
H12H H 1.2712(10) 0.7661(6) -0.0798(4) 0.231(10) Uiso 1 calc R .
H12I H 1.3590(10) 0.8233(6) -0.0531(4) 0.231(10) Uiso 1 calc R .
C122 C 1.1530(8) 0.7602(4) 0.1549(3) 0.099(3) Uani 1 d . .
H122 H 1.0701(8) 0.7541(4) 0.1340(3) 0.076(12) Uiso 1 calc R .
C123 C 1.1607(9) 0.8182(5) 0.1973(4) 0.167(5) Uani 1 d . .
H12J H 1.1127(9) 0.8131(5) 0.2231(4) 0.231(10) Uiso 1 calc R .
H12K H 1.1326(9) 0.8514(5) 0.1786(4) 0.231(10) Uiso 1 calc R .
H12L H 1.2417(9) 0.8273(5) 0.2172(4) 0.231(10) Uiso 1 calc R .
C124 C 1.1779(10) 0.7078(5) 0.1857(4) 0.194(6) Uani 1 d . .
H12M H 1.1267(10) 0.7090(5) 0.2113(4) 0.231(10) Uiso 1 calc R .
H12N H 1.2591(10) 0.7114(5) 0.2061(4) 0.231(10) Uiso 1 calc R .
H12O H 1.1638(10) 0.6695(5) 0.1593(4) 0.231(10) Uiso 1 calc R .
C125 C 0.9347(8) 0.6263(3) -0.0157(3) 0.070(3) Uani 1 d . .
C126 C 1.0251(8) 0.5991(4) -0.0402(3) 0.084(3) Uani 1 d . .
C127 C 0.9922(9) 0.5576(4) -0.0894(4) 0.117(4) Uani 1 d . .
H127 H 1.0513(9) 0.5401(4) -0.1063(4) 0.109(9) Uiso 1 calc R .
C128 C 0.8777(10) 0.5409(4) -0.1148(4) 0.135(5) Uani 1 d . .
H128 H 0.8596(10) 0.5123(4) -0.1482(4) 0.109(9) Uiso 1 calc R .
C129 C 0.7894(8) 0.5661(4) -0.0913(4) 0.109(4) Uani 1 d . .
H129 H 0.7106(8) 0.5551(4) -0.1090(4) 0.109(9) Uiso 1 calc R .
C130 C 0.8167(8) 0.6084(3) -0.0405(3) 0.080(3) Uani 1 d . .
C131 C 1.1544(8) 0.6159(4) -0.0131(4) 0.100(3) Uani 1 d . .
H131 H 1.1595(8) 0.6597(4) 0.0037(4) 0.076(12) Uiso 1 calc R .
C132 C 1.1946(9) 0.5813(4) 0.0344(4) 0.156(5) Uani 1 d . .
H13A H 1.2767(9) 0.5920(4) 0.0515(4) 0.231(10) Uiso 1 calc R .
H13B H 1.1848(9) 0.5378(4) 0.0200(4) 0.231(10) Uiso 1 calc R .
H13C H 1.1477(9) 0.5922(4) 0.0618(4) 0.231(10) Uiso 1 calc R .
C133 C 1.2391(8) 0.6072(5) -0.0519(4) 0.180(6) Uani 1 d . .
H13D H 1.3183(8) 0.6191(5) -0.0307(4) 0.231(10) Uiso 1 calc R .
H13E H 1.2169(8) 0.6323(5) -0.0798(4) 0.231(10) Uiso 1 calc R .
H13F H 1.2357(8) 0.5647(5) -0.0698(4) 0.231(10) Uiso 1 calc R .
C134 C 0.7165(8) 0.6298(4) -0.0135(3) 0.091(3) Uani 1 d . .
H134 H 0.7438(8) 0.6695(4) 0.0110(3) 0.076(12) Uiso 1 calc R .
C135 C 0.6916(9) 0.5868(4) 0.0246(4) 0.148(5) Uani 1 d . .
H13G H 0.6273(9) 0.6017(4) 0.0412(4) 0.231(10) Uiso 1 calc R .
H13H H 0.7613(9) 0.5856(4) 0.0536(4) 0.231(10) Uiso 1 calc R .
H13I H 0.6707(9) 0.5461(4) 0.0029(4) 0.231(10) Uiso 1 calc R .
C136 C 0.6009(8) 0.6409(4) -0.0530(4) 0.147(4) Uani 1 d . .
H13J H 0.5431(8) 0.6544(4) -0.0316(4) 0.231(10) Uiso 1 calc R .
H13K H 0.5719(8) 0.6034(4) -0.0788(4) 0.231(10) Uiso 1 calc R .
H13L H 0.6150(8) 0.6720(4) -0.0733(4) 0.231(10) Uiso 1 calc R .
C137 C 0.8346(7) 0.7235(4) 0.1282(3) 0.089(3) Uani 1 d . .
H137 H 0.8518(7) 0.6841(4) 0.1124(3) 0.109(9) Uiso 1 calc R .
C138 C 0.7922(8) 0.7305(5) 0.1762(4) 0.116(4) Uani 1 d . .
H138 H 0.7814(8) 0.6971(5) 0.1927(4) 0.109(9) Uiso 1 calc R .
C139 C 0.7673(9) 0.7869(6) 0.1979(4) 0.159(7) Uani 1 d . .
H139 H 0.7366(9) 0.7931(6) 0.2299(4) 0.109(9) Uiso 1 calc R .
C140 C 0.7853(11) 0.8348(5) 0.1750(4) 0.188(8) Uani 1 d . .
H140 H 0.7680(11) 0.8745(5) 0.1898(4) 0.109(9) Uiso 1 calc R .
C141 C 0.8311(10) 0.8220(4) 0.1279(4) 0.147(5) Uani 1 d . .
H141 H 0.8484(10) 0.8552(4) 0.1125(4) 0.109(9) Uiso 1 calc R .
Ga3 Ga 0.62471(8) 0.09447(4) 0.29725(4) 0.0567(3) Uani 1 d . .
N201 N 0.6907(5) 0.0230(2) 0.2660(2) 0.065(2) Uani 1 d . .
H1NC H 0.7664(5) 0.0244(2) 0.2856(2) 0.042(14) Uiso 1 d R .
N202 N 0.7379(5) 0.1485(2) 0.3488(2) 0.059(2) Uani 1 d . .
H2NC H 0.7014(5) 0.1664(2) 0.3756(2) 0.042(14) Uiso 1 d R .
N203 N 0.4743(5) 0.0772(3) 0.3093(2) 0.056(2) Uani 1 d . .
H3NC H 0.4615(5) 0.0362(3) 0.2982(2) 0.042(14) Uiso 1 d R .
N204 N 0.5762(6) 0.1482(3) 0.2382(2) 0.067(2) Uani 1 d . .
C201 C 0.6428(7) -0.0360(3) 0.2659(3) 0.056(2) Uani 1 d . .
C202 C 0.5415(7) -0.0582(3) 0.2240(3) 0.062(2) Uani 1 d . .
C203 C 0.4916(7) -0.1149(4) 0.2230(3) 0.081(3) Uani 1 d . .
H203 H 0.4245(7) -0.1298(4) 0.1953(3) 0.088(8) Uiso 1 calc R .
C204 C 0.5377(8) -0.1503(4) 0.2616(4) 0.086(3) Uani 1 d . .
H204 H 0.5019(8) -0.1883(4) 0.2604(4) 0.088(8) Uiso 1 calc R .
C205 C 0.6370(7) -0.1287(4) 0.3016(3) 0.082(3) Uani 1 d . .
H205 H 0.6693(7) -0.1530(4) 0.3274(3) 0.088(8) Uiso 1 calc R .
C206 C 0.6907(7) -0.0724(3) 0.3052(3) 0.068(3) Uani 1 d . .
C207 C 0.4929(7) -0.0234(4) 0.1775(3) 0.089(3) Uani 1 d . .
H207 H 0.5135(7) 0.0203(4) 0.1930(3) 0.090(13) Uiso 1 calc R .
C208 C 0.5504(9) -0.0401(5) 0.1297(3) 0.158(5) Uani 1 d . .
H20D H 0.5176(9) -0.0173(5) 0.1012(3) 0.182(8) Uiso 1 calc R .
H20E H 0.5368(9) -0.0834(5) 0.1148(3) 0.182(8) Uiso 1 calc R .
H20F H 0.6342(9) -0.0306(5) 0.1423(3) 0.182(8) Uiso 1 calc R .
C209 C 0.3587(8) -0.0296(4) 0.1581(4) 0.136(4) Uani 1 d . .
H20G H 0.3235(8) -0.0185(4) 0.1898(4) 0.182(8) Uiso 1 calc R .
H20H H 0.3350(8) -0.0714(4) 0.1402(4) 0.182(8) Uiso 1 calc R .
H20I H 0.3326(8) -0.0028(4) 0.1320(4) 0.182(8) Uiso 1 calc R .
C210 C 0.8034(8) -0.0516(4) 0.3495(3) 0.095(3) Uani 1 d . .
H210 H 0.8079(8) -0.0065(4) 0.3565(3) 0.090(13) Uiso 1 calc R .
C211 C 0.9108(8) -0.0723(5) 0.3300(5) 0.204(7) Uani 1 d . .
H21D H 0.9097(8) -0.0601(5) 0.2949(5) 0.182(8) Uiso 1 calc R .
H21E H 0.9124(8) -0.1163(5) 0.3252(5) 0.182(8) Uiso 1 calc R .
H21F H 0.9800(8) -0.0541(5) 0.3573(5) 0.182(8) Uiso 1 calc R .
C212 C 0.8041(11) -0.0704(5) 0.4042(4) 0.231(8) Uani 1 d . .
H21G H 0.7341(11) -0.0568(5) 0.4166(4) 0.182(8) Uiso 1 calc R .
H21H H 0.8732(11) -0.0522(5) 0.4316(4) 0.182(8) Uiso 1 calc R .
H21I H 0.8056(11) -0.1144(5) 0.3995(4) 0.182(8) Uiso 1 calc R .
C213 C 0.8455(7) 0.1270(3) 0.3768(3) 0.061(2) Uani 1 d . .
C214 C 0.9374(7) 0.1123(3) 0.3479(3) 0.063(2) Uani 1 d . .
C215 C 1.0419(7) 0.0910(4) 0.3758(4) 0.086(3) Uani 1 d . .
H215 H 1.1029(7) 0.0823(4) 0.3571(4) 0.088(8) Uiso 1 calc R .
C216 C 1.0584(8) 0.0825(4) 0.4291(4) 0.106(4) Uani 1 d . .
H216 H 1.1281(8) 0.0662(4) 0.4461(4) 0.088(8) Uiso 1 calc R .
C217 C 0.9729(8) 0.0977(4) 0.4578(4) 0.094(3) Uani 1 d . .
H217 H 0.9867(8) 0.0938(4) 0.4952(4) 0.088(8) Uiso 1 calc R .
C218 C 0.8660(7) 0.1187(3) 0.4331(3) 0.062(2) Uani 1 d . .
C219 C 0.9230(7) 0.1252(3) 0.2894(3) 0.078(3) Uani 1 d . .
H219 H 0.8383(7) 0.1207(3) 0.2713(3) 0.090(13) Uiso 1 calc R .
C220 C 0.9656(8) 0.1919(4) 0.2917(3) 0.109(3) Uani 1 d . .
H22A H 0.9559(8) 0.1994(4) 0.2543(3) 0.182(8) Uiso 1 calc R .
H22B H 1.0478(8) 0.1979(4) 0.3106(3) 0.182(8) Uiso 1 calc R .
H22C H 0.9195(8) 0.2199(4) 0.3117(3) 0.182(8) Uiso 1 calc R .
C221 C 0.9890(9) 0.0818(4) 0.2526(4) 0.144(4) Uani 1 d . .
H22D H 0.9761(9) 0.0926(4) 0.2162(4) 0.182(8) Uiso 1 calc R .
H22E H 0.9600(9) 0.0402(4) 0.2489(4) 0.182(8) Uiso 1 calc R .
H22F H 1.0724(9) 0.0853(4) 0.2695(4) 0.182(8) Uiso 1 calc R .
C222 C 0.7742(8) 0.1361(4) 0.4651(3) 0.098(3) Uani 1 d . .
H222 H 0.6981(8) 0.1337(4) 0.4379(3) 0.090(13) Uiso 1 calc R .
C223 C 0.7921(10) 0.1983(6) 0.4964(5) 0.264(10) Uani 1 d . .
H22G H 0.8024(10) 0.2258(6) 0.4720(5) 0.182(8) Uiso 1 calc R .
H22H H 0.8615(10) 0.2013(6) 0.5263(5) 0.182(8) Uiso 1 calc R .
H22I H 0.7242(10) 0.2093(6) 0.5117(5) 0.182(8) Uiso 1 calc R .
C224 C 0.7601(12) 0.0997(7) 0.5049(6) 0.368(15) Uani 1 d . .
H22J H 0.7477(12) 0.0572(7) 0.4868(6) 0.182(8) Uiso 1 calc R .
H22K H 0.6929(12) 0.1126(7) 0.5200(6) 0.182(8) Uiso 1 calc R .
H22L H 0.8302(12) 0.1046(7) 0.5346(6) 0.182(8) Uiso 1 calc R .
C225 C 0.4440(6) 0.0909(3) 0.3624(3) 0.053(2) Uani 1 d . .
C226 C 0.4392(6) 0.1522(3) 0.3880(3) 0.060(2) Uani 1 d . .
C227 C 0.4147(6) 0.1648(4) 0.4406(3) 0.078(3) Uani 1 d . .
H227 H 0.4136(6) 0.2056(4) 0.4584(3) 0.088(8) Uiso 1 calc R .
C228 C 0.3921(8) 0.1186(4) 0.4670(3) 0.097(3) Uani 1 d . .
H228 H 0.3773(8) 0.1280(4) 0.5028(3) 0.088(8) Uiso 1 calc R .
C229 C 0.3913(7) 0.0593(4) 0.4411(4) 0.097(3) Uani 1 d . .
H229 H 0.3727(7) 0.0283(4) 0.4588(4) 0.088(8) Uiso 1 calc R .
C230 C 0.4170(7) 0.0437(4) 0.3893(3) 0.072(3) Uani 1 d . .
C231 C 0.4515(7) 0.2041(3) 0.3571(3) 0.073(3) Uani 1 d . .
H231 H 0.5086(7) 0.1920(3) 0.3338(3) 0.090(13) Uiso 1 calc R .
C232 C 0.3337(8) 0.2123(4) 0.3180(4) 0.129(4) Uani 1 d . .
H23D H 0.3052(8) 0.1737(4) 0.2939(4) 0.182(8) Uiso 1 calc R .
H23E H 0.3447(8) 0.2420(4) 0.2956(4) 0.182(8) Uiso 1 calc R .
H23F H 0.2769(8) 0.2266(4) 0.3397(4) 0.182(8) Uiso 1 calc R .
C233 C 0.4975(8) 0.2651(3) 0.3953(3) 0.114(4) Uani 1 d . .
H23G H 0.5030(8) 0.2956(3) 0.3731(3) 0.182(8) Uiso 1 calc R .
H23H H 0.5746(8) 0.2603(3) 0.4178(3) 0.182(8) Uiso 1 calc R .
H23I H 0.4440(8) 0.2778(3) 0.4193(3) 0.182(8) Uiso 1 calc R .
C234 C 0.4055(9) -0.0226(4) 0.3594(4) 0.100(4) Uani 1 d . .
H234 H 0.4636(9) -0.0272(4) 0.3359(4) 0.090(13) Uiso 1 calc R .
C235 C 0.2865(9) -0.0398(4) 0.3209(5) 0.196(7) Uani 1 d . .
H23J H 0.2681(9) -0.0108(4) 0.2963(5) 0.182(8) Uiso 1 calc R .
H23K H 0.2273(9) -0.0394(4) 0.3425(5) 0.182(8) Uiso 1 calc R .
H23L H 0.2877(9) -0.0803(4) 0.2991(5) 0.182(8) Uiso 1 calc R .
C236 C 0.4344(11) -0.0675(4) 0.3975(4) 0.197(7) Uani 1 d . .
H23M H 0.5108(11) -0.0563(4) 0.4222(4) 0.182(8) Uiso 1 calc R .
H23N H 0.4357(11) -0.1080(4) 0.3758(4) 0.182(8) Uiso 1 calc R .
H23O H 0.3753(11) -0.0671(4) 0.4192(4) 0.182(8) Uiso 1 calc R .
C237 C 0.4705(8) 0.1410(4) 0.2022(3) 0.088(3) Uani 1 d . .
H237 H 0.4167(8) 0.1106(4) 0.2043(3) 0.088(8) Uiso 1 calc R .
C238 C 0.4384(9) 0.1766(4) 0.1626(4) 0.116(4) Uani 1 d . .
H238 H 0.3659(9) 0.1686(4) 0.1367(4) 0.088(8) Uiso 1 calc R .
C239 C 0.5111(10) 0.2229(5) 0.1609(4) 0.139(6) Uani 1 d . .
H239 H 0.4894(10) 0.2476(5) 0.1342(4) 0.088(8) Uiso 1 calc R .
C240 C 0.6168(9) 0.2335(5) 0.1984(4) 0.136(5) Uani 1 d . .
H240 H 0.6690(9) 0.2657(5) 0.1986(4) 0.088(8) Uiso 1 calc R .
C241 C 0.6436(8) 0.1951(4) 0.2359(3) 0.092(3) Uani 1 d . .
H241 H 0.7156(8) 0.2028(4) 0.2620(3) 0.088(8) Uiso 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
_geom_angle_publ_flag
N1 Ga1 N3 116.3(3) . . ?
N1 Ga1 N2 111.0(3) . . ?
N3 Ga1 N2 119.4(3) . . ?
N1 Ga1 N4 106.6(3) . . ?
N3 Ga1 N4 98.0(3) . . ?
N2 Ga1 N4 102.6(3) . . ?
C1 N1 Ga1 119.0(5) . . ?
C13 N2 Ga1 124.3(5) . . ?
C25 N3 Ga1 125.3(5) . . ?
C37 N4 C41 116.7(9) . . ?
C37 N4 Ga1 122.3(8) . . ?
C41 N4 Ga1 121.0(8) . . ?
C6 C1 C2 119.6(8) . . ?
C6 C1 N1 118.6(9) . . ?
C2 C1 N1 121.7(9) . . ?
C3 C2 C1 117.3(9) . . ?
C3 C2 C7 120.9(10) . . ?
C1 C2 C7 121.9(9) . . ?
C4 C3 C2 123.6(10) . . ?
C3 C4 C5 118.1(9) . . ?
C6 C5 C4 121.4(9) . . ?
C5 C6 C1 119.9(9) . . ?
C5 C6 C10 119.1(9) . . ?
C1 C6 C10 120.9(9) . . ?
C8 C7 C9 108.6(10) . . ?
C8 C7 C2 111.8(10) . . ?
C9 C7 C2 113.2(11) . . ?
C11 C10 C12 110.5(8) . . ?
C11 C10 C6 112.1(8) . . ?
C12 C10 C6 115.3(8) . . ?
N2 C13 C18 118.7(8) . . ?
N2 C13 C14 122.5(9) . . ?
C18 C13 C14 118.8(9) . . ?
C15 C14 C13 119.9(9) . . ?
C15 C14 C19 119.2(9) . . ?
C13 C14 C19 120.9(9) . . ?
C14 C15 C16 120.9(9) . . ?
C17 C16 C15 118.9(9) . . ?
C16 C17 C18 122.3(9) . . ?
C17 C18 C13 119.1(9) . . ?
C17 C18 C22 119.6(9) . . ?
C13 C18 C22 121.0(9) . . ?
C14 C19 C20 110.5(8) . . ?
C14 C19 C21 114.8(8) . . ?
C20 C19 C21 108.9(8) . . ?
C23 C22 C18 110.7(8) . . ?
C23 C22 C24 109.9(9) . . ?
C18 C22 C24 115.0(9) . . ?
C26 C25 C30 121.4(10) . . ?
C26 C25 N3 119.5(10) . . ?
C30 C25 N3 118.9(10) . . ?
C27 C26 C25 117.1(10) . . ?
C27 C26 C31 118.6(10) . . ?
C25 C26 C31 124.3(10) . . ?
C28 C27 C26 122.3(11) . . ?
C27 C28 C29 119.5(11) . . ?
C30 C29 C28 121.5(11) . . ?
C29 C30 C25 118.1(10) . . ?
C29 C30 C34 119.4(11) . . ?
C25 C30 C34 122.4(10) . . ?
C26 C31 C32 110.4(9) . . ?
C26 C31 C33 114.6(9) . . ?
C32 C31 C33 109.8(8) . . ?
C35 C34 C30 111.2(8) . . ?
C35 C34 C36 108.2(8) . . ?
C30 C34 C36 113.6(9) . . ?
N4 C37 C38 123.0(11) . . ?
C39 C38 C37 119.2(15) . . ?
C38 C39 C40 119.0(17) . . ?
C39 C40 C41 118.7(15) . . ?
N4 C41 C40 123.2(11) . . ?
N101 Ga2 N102 111.6(3) . . ?
N101 Ga2 N103 114.2(3) . . ?
N102 Ga2 N103 118.4(3) . . ?
N101 Ga2 N104 108.1(3) . . ?
N102 Ga2 N104 104.4(3) . . ?
N103 Ga2 N104 98.1(3) . . ?
C101 N101 Ga2 123.6(5) . . ?
C113 N102 Ga2 123.1(6) . . ?
C125 N103 Ga2 121.7(5) . . ?
C141 N104 C137 115.6(9) . . ?
C141 N104 Ga2 123.7(10) . . ?
C137 N104 Ga2 120.1(8) . . ?
N101 C101 C106 120.4(10) . . ?
N101 C101 C102 123.9(10) . . ?
C106 C101 C102 115.7(9) . . ?
C103 C102 C101 119.9(10) . . ?
C103 C102 C107 120.7(11) . . ?
C101 C102 C107 119.4(11) . . ?
C104 C103 C102 121.9(11) . . ?
C103 C104 C105 119.2(11) . . ?
C104 C105 C106 121.5(10) . . ?
C105 C106 C101 121.9(10) . . ?
C105 C106 C110 117.1(11) . . ?
C101 C106 C110 120.8(10) . . ?
C108 C107 C109 108.5(11) . . ?
C108 C107 C102 111.5(11) . . ?
C109 C107 C102 116.6(11) . . ?
C111 C110 C112 110.6(10) . . ?
C111 C110 C106 111.4(8) . . ?
C112 C110 C106 115.1(10) . . ?
C114 C113 C118 120.0(11) . . ?
C114 C113 N102 120.0(10) . . ?
C118 C113 N102 120.0(11) . . ?
C113 C114 C115 119.4(11) . . ?
C113 C114 C119 124.5(12) . . ?
C115 C114 C119 116.1(13) . . ?
C116 C115 C114 119.8(12) . . ?
C117 C116 C115 120.5(13) . . ?
C116 C117 C118 120.4(12) . . ?
C113 C118 C117 119.9(11) . . ?
C113 C118 C122 120.5(11) . . ?
C117 C118 C122 119.5(12) . . ?
C114 C119 C121 118.6(11) . . ?
C114 C119 C120 109.5(10) . . ?
C121 C119 C120 107.0(10) . . ?
C118 C122 C123 112.3(9) . . ?
C118 C122 C124 116.1(10) . . ?
C123 C122 C124 108.0(9) . . ?
C130 C125 N103 117.9(10) . . ?
C130 C125 C126 119.7(9) . . ?
N103 C125 C126 122.4(10) . . ?
C127 C126 C125 117.8(11) . . ?
C127 C126 C131 121.2(11) . . ?
C125 C126 C131 121.0(10) . . ?
C128 C127 C126 123.2(12) . . ?
C127 C128 C129 119.7(12) . . ?
C128 C129 C130 120.2(11) . . ?
C125 C130 C129 119.3(10) . . ?
C125 C130 C134 122.7(9) . . ?
C129 C130 C134 117.9(11) . . ?
C126 C131 C133 116.1(9) . . ?
C126 C131 C132 109.5(9) . . ?
C133 C131 C132 110.2(9) . . ?
C130 C134 C136 116.2(9) . . ?
C130 C134 C135 111.5(8) . . ?
C136 C134 C135 109.7(9) . . ?
N104 C137 C138 124.1(10) . . ?
C139 C138 C137 117.2(13) . . ?
C138 C139 C140 121.3(15) . . ?
C139 C140 C141 115.9(14) . . ?
N104 C141 C140 125.7(12) . . ?
N202 Ga3 N201 112.4(3) . . ?
N202 Ga3 N203 123.0(3) . . ?
N201 Ga3 N203 111.4(3) . . ?
N202 Ga3 N204 98.7(3) . . ?
N201 Ga3 N204 109.5(3) . . ?
N203 Ga3 N204 99.2(3) . . ?
C201 N201 Ga3 120.9(5) . . ?
C213 N202 Ga3 120.9(5) . . ?
C225 N203 Ga3 124.2(5) . . ?
C241 N204 C237 115.5(8) . . ?
C241 N204 Ga3 121.9(8) . . ?
C237 N204 Ga3 122.4(8) . . ?
C206 C201 C202 119.3(9) . . ?
C206 C201 N201 123.6(9) . . ?
C202 C201 N201 117.1(9) . . ?
C203 C202 C201 118.7(9) . . ?
C203 C202 C207 119.8(10) . . ?
C201 C202 C207 121.4(10) . . ?
C204 C203 C202 122.0(10) . . ?
C205 C204 C203 118.8(10) . . ?
C204 C205 C206 122.2(10) . . ?
C205 C206 C201 119.0(9) . . ?
C205 C206 C210 119.9(10) . . ?
C201 C206 C210 121.0(9) . . ?
C208 C207 C202 111.7(8) . . ?
C208 C207 C209 111.1(8) . . ?
C202 C207 C209 113.4(9) . . ?
C211 C210 C212 109.9(10) . . ?
C211 C210 C206 112.1(9) . . ?
C212 C210 C206 113.4(9) . . ?
C218 C213 N202 122.8(8) . . ?
C218 C213 C214 117.7(9) . . ?
N202 C213 C214 119.5(9) . . ?
C215 C214 C213 118.8(9) . . ?
C215 C214 C219 121.7(10) . . ?
C213 C214 C219 119.3(9) . . ?
C216 C215 C214 122.4(10) . . ?
C215 C216 C217 119.5(11) . . ?
C216 C217 C218 121.9(10) . . ?
C217 C218 C213 119.7(9) . . ?
C217 C218 C222 121.3(10) . . ?
C213 C218 C222 118.9(9) . . ?
C214 C219 C221 113.9(8) . . ?
C214 C219 C220 110.4(7) . . ?
C221 C219 C220 108.5(7) . . ?
C224 C222 C223 104.8(10) . . ?
C224 C222 C218 117.3(11) . . ?
C223 C222 C218 112.9(10) . . ?
C226 C225 C230 119.4(8) . . ?
C226 C225 N203 119.5(9) . . ?
C230 C225 N203 121.1(9) . . ?
C227 C226 C225 118.9(9) . . ?
C227 C226 C231 120.2(9) . . ?
C225 C226 C231 120.8(9) . . ?
C228 C227 C226 121.3(9) . . ?
C229 C228 C227 119.8(10) . . ?
C228 C229 C230 121.7(10) . . ?
C229 C230 C225 118.8(9) . . ?
C229 C230 C234 120.3(10) . . ?
C225 C230 C234 120.6(9) . . ?
C233 C231 C226 113.9(8) . . ?
C233 C231 C232 109.9(7) . . ?
C226 C231 C232 110.3(7) . . ?
C236 C234 C235 109.7(9) . . ?
C236 C234 C230 114.0(9) . . ?
C235 C234 C230 113.0(9) . . ?
N204 C237 C238 122.5(10) . . ?
C239 C238 C237 119.9(12) . . ?
C238 C239 C240 119.4(14) . . ?
C239 C240 C241 117.3(13) . . ?
N204 C241 C240 125.4(10) . . ?
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 N1 1.876(6) . ?
Ga1 N3 1.877(6) . ?
Ga1 N2 1.878(6) . ?
Ga1 N4 2.051(7) . ?
N1 C1 1.417(8) . ?
N2 C13 1.400(8) . ?
N3 C25 1.431(9) . ?
N4 C37 1.290(10) . ?
N4 C41 1.324(10) . ?
C1 C6 1.396(10) . ?
C1 C2 1.407(10) . ?
C2 C3 1.374(10) . ?
C2 C7 1.492(11) . ?
C3 C4 1.365(11) . ?
C4 C5 1.374(10) . ?
C5 C6 1.365(10) . ?
C6 C10 1.510(10) . ?
C7 C8 1.483(13) . ?
C7 C9 1.488(13) . ?
C10 C11 1.498(10) . ?
C10 C12 1.509(10) . ?
C13 C18 1.407(10) . ?
C13 C14 1.410(10) . ?
C14 C15 1.382(10) . ?
C14 C19 1.498(10) . ?
C15 C16 1.387(11) . ?
C16 C17 1.368(10) . ?
C17 C18 1.383(10) . ?
C18 C22 1.501(10) . ?
C19 C20 1.513(10) . ?
C19 C21 1.526(10) . ?
C22 C23 1.475(11) . ?
C22 C24 1.503(10) . ?
C25 C26 1.401(10) . ?
C25 C30 1.402(11) . ?
C26 C27 1.374(11) . ?
C26 C31 1.510(11) . ?
C27 C28 1.368(12) . ?
C28 C29 1.370(12) . ?
C29 C30 1.368(11) . ?
C30 C34 1.511(11) . ?
C31 C32 1.514(11) . ?
C31 C33 1.517(10) . ?
C34 C35 1.499(10) . ?
C34 C36 1.516(10) . ?
C37 C38 1.388(12) . ?
C38 C39 1.322(14) . ?
C39 C40 1.343(14) . ?
C40 C41 1.366(12) . ?
Ga2 N101 1.858(6) . ?
Ga2 N102 1.863(6) . ?
Ga2 N103 1.867(6) . ?
Ga2 N104 2.069(7) . ?
N101 C101 1.396(9) . ?
N102 C113 1.422(10) . ?
N103 C125 1.400(9) . ?
N104 C141 1.281(11) . ?
N104 C137 1.297(10) . ?
C101 C106 1.400(10) . ?
C101 C102 1.416(10) . ?
C102 C103 1.387(11) . ?
C102 C107 1.510(11) . ?
C103 C104 1.345(11) . ?
C104 C105 1.346(11) . ?
C105 C106 1.361(10) . ?
C106 C110 1.528(11) . ?
C107 C108 1.447(14) . ?
C107 C109 1.456(13) . ?
C110 C111 1.482(12) . ?
C110 C112 1.491(11) . ?
C113 C114 1.382(12) . ?
C113 C118 1.388(11) . ?
C114 C115 1.408(13) . ?
C114 C119 1.487(12) . ?
C115 C116 1.397(13) . ?
C116 C117 1.343(12) . ?
C117 C118 1.409(12) . ?
C118 C122 1.489(11) . ?
C119 C121 1.499(12) . ?
C119 C120 1.500(12) . ?
C122 C123 1.493(11) . ?
C122 C124 1.499(11) . ?
C125 C130 1.390(11) . ?
C125 C126 1.407(11) . ?
C126 C127 1.367(11) . ?
C126 C131 1.511(11) . ?
C127 C128 1.352(13) . ?
C128 C129 1.360(13) . ?
C129 C130 1.401(11) . ?
C130 C134 1.501(11) . ?
C131 C133 1.511(11) . ?
C131 C132 1.515(11) . ?
C134 C136 1.525(10) . ?
C134 C135 1.530(11) . ?
C137 C138 1.374(11) . ?
C138 C139 1.326(13) . ?
C139 C140 1.33(2) . ?
C140 C141 1.374(13) . ?
Ga3 N202 1.864(5) . ?
Ga3 N201 1.874(6) . ?
Ga3 N203 1.879(6) . ?
Ga3 N204 2.045(7) . ?
N201 C201 1.415(8) . ?
N202 C213 1.416(9) . ?
N203 C225 1.423(8) . ?
N204 C241 1.313(10) . ?
N204 C237 1.336(10) . ?
C201 C206 1.402(10) . ?
C201 C202 1.404(10) . ?
C202 C203 1.374(10) . ?
C202 C207 1.513(11) . ?
C203 C204 1.368(10) . ?
C204 C205 1.362(10) . ?
C205 C206 1.368(10) . ?
C206 C210 1.517(11) . ?
C207 C208 1.480(10) . ?
C207 C209 1.519(11) . ?
C210 C211 1.476(12) . ?
C210 C212 1.495(11) . ?
C213 C218 1.416(10) . ?
C213 C214 1.419(10) . ?
C214 C215 1.387(10) . ?
C214 C219 1.509(10) . ?
C215 C216 1.348(11) . ?
C216 C217 1.352(11) . ?
C217 C218 1.378(10) . ?
C218 C222 1.475(11) . ?
C219 C221 1.530(9) . ?
C219 C220 1.540(9) . ?
C222 C224 1.422(12) . ?
C222 C223 1.442(13) . ?
C225 C226 1.395(9) . ?
C225 C230 1.409(10) . ?
C226 C227 1.380(9) . ?
C226 C231 1.520(10) . ?
C227 C228 1.368(10) . ?
C228 C229 1.351(10) . ?
C229 C230 1.373(10) . ?
C230 C234 1.509(10) . ?
C231 C233 1.519(9) . ?
C231 C232 1.523(10) . ?
C234 C236 1.486(11) . ?
C234 C235 1.496(12) . ?
C237 C238 1.364(11) . ?
C238 C239 1.335(13) . ?
C239 C240 1.355(13) . ?
C240 C241 1.362(11) . ?
