#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/75/4317506.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_4317506
loop_
_publ_author_name
'Bing Luo'
'Wayne L. Gladfelter'
_publ_section_title
;
 Synthesis and Thermolysis of Alkyl- and Phenylamido Diphenylgallium,
 [Ph2GaN(H)R]2. Isolation and Structural Characterization of (PhGaNMe)7and
 (PhGaNPh)4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              590
_journal_page_last               597
_journal_paper_doi               10.1021/ic010877e
_journal_volume                  41
_journal_year                    2002
_chemical_compound_source        'Bing Luo'
_chemical_formula_sum            'C59.5 H68 Ga7 N7'
_chemical_formula_weight         1369.25
_chemical_name_common            00340/BL064
_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                105.1880(10)
_cell_angle_beta                 99.3070(10)
_cell_angle_gamma                100.3330(10)
_cell_formula_units_Z            2
_cell_length_a                   12.4038(7)
_cell_length_b                   13.3356(7)
_cell_length_c                   18.8316(10)
_cell_measurement_reflns_used    4851
_cell_measurement_temperature    173(2)
_cell_volume                     2885.1(3)
_computing_cell_refinement       'Saint, Bruker'
_computing_data_collection       'Smart, Bruker'
_computing_data_reduction        'Saint, Bruker'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Smart CCD, Siemens'
_diffrn_measurement_method       Omega-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_sigmaI/netI    0.0469
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21421
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.15
_exptl_absorpt_coefficient_mu    3.263
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6489
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1382
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.951
_refine_diff_density_min         -0.447
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     749
_refine_ls_number_reflns         10122
_refine_ls_number_restraints     303
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0380P)²+3.7043P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0810
_refine_ls_wR_factor_ref         0.0878
_reflns_number_gt                8055
_reflns_number_total             10122
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010877e_1.cif
_cod_data_source_block           Compound6,(PhGaNMe)7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'multi-scans' was replaced
with 'multi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C59.50 H68 Ga7 N7'
_cod_database_code               4317506
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
Ga1 Ga 0.25659(4) 0.54255(4) 0.37656(3) 0.02443(11) Uani 1 1 d . . .
Ga2 Ga 0.36403(3) 0.44760(3) 0.26756(2) 0.02034(11) Uani 1 1 d . . .
Ga3 Ga 0.13617(3) 0.33115(4) 0.32199(2) 0.02168(11) Uani 1 1 d . . .
Ga4 Ga 0.11615(4) 0.52823(4) 0.24082(3) 0.02316(11) Uani 1 1 d . . .
Ga5 Ga 0.20535(3) 0.20301(4) 0.16217(2) 0.02264(11) Uani 1 1 d . . .
Ga6 Ga 0.19022(4) 0.36966(4) 0.09718(2) 0.02323(11) Uani 1 1 d . . .
Ga7 Ga 0.00372(3) 0.26859(4) 0.13752(3) 0.02385(11) Uani 1 1 d . . .
N1 N 0.1068(3) 0.2189(3) 0.07286(18) 0.0246(8) Uani 1 1 d . . .
N2 N 0.3054(2) 0.3405(3) 0.17051(18) 0.0202(7) Uani 1 1 d . . .
N3 N 0.0895(3) 0.2307(3) 0.22011(18) 0.0203(7) Uani 1 1 d . . .
N4 N 0.0703(3) 0.4179(3) 0.14475(18) 0.0227(7) Uani 1 1 d . . .
N5 N 0.2815(3) 0.5646(3) 0.27985(18) 0.0229(7) Uani 1 1 d . . .
N6 N 0.2984(3) 0.4023(3) 0.34576(18) 0.0233(7) Uani 1 1 d . . .
N7 N 0.0983(3) 0.4701(3) 0.32527(18) 0.0233(7) Uani 1 1 d . . .
C1 C 0.2925(3) 0.6357(3) 0.4809(2) 0.0267(9) Uani 1 1 d . . .
C2 C 0.2735(4) 0.5880(4) 0.5365(2) 0.0344(11) Uani 1 1 d . . .
H2 H 0.2488 0.5124 0.5231 0.041 Uiso 1 1 calc R . .
C3 C 0.2895(4) 0.6477(4) 0.6107(3) 0.0422(12) Uani 1 1 d . . .
H3 H 0.2758 0.6134 0.6477 0.051 Uiso 1 1 calc R . .
C4 C 0.3252(4) 0.7561(4) 0.6309(3) 0.0485(14) Uani 1 1 d . . .
H4 H 0.3365 0.7975 0.6820 0.058 Uiso 1 1 calc R . .
C5 C 0.3448(5) 0.8056(4) 0.5772(3) 0.0564(15) Uani 1 1 d . . .
H5 H 0.3694 0.8811 0.5913 0.068 Uiso 1 1 calc R . .
C6 C 0.3289(4) 0.7454(4) 0.5025(3) 0.0451(13) Uani 1 1 d . . .
H6 H 0.3432 0.7801 0.4657 0.054 Uiso 1 1 calc R . .
C7 C 0.5278(3) 0.5138(3) 0.2996(2) 0.0235(9) Uani 1 1 d . . .
C8 C 0.6067(3) 0.5013(4) 0.2547(2) 0.0303(10) Uani 1 1 d . . .
H8 H 0.5833 0.4535 0.2049 0.036 Uiso 1 1 calc R . .
C9 C 0.7185(4) 0.5570(4) 0.2808(3) 0.0392(12) Uani 1 1 d . . .
H9 H 0.7701 0.5461 0.2489 0.047 Uiso 1 1 calc R . .
C10 C 0.7547(4) 0.6271(4) 0.3518(3) 0.0390(12) Uani 1 1 d . . .
H10 H 0.8309 0.6656 0.3694 0.047 Uiso 1 1 calc R . .
C11 C 0.6795(4) 0.6413(4) 0.3976(3) 0.0370(11) Uani 1 1 d . . .
H11 H 0.7041 0.6898 0.4471 0.044 Uiso 1 1 calc R . .
C12 C 0.5673(3) 0.5850(4) 0.3721(2) 0.0318(10) Uani 1 1 d . . .
H12 H 0.5168 0.5956 0.4048 0.038 Uiso 1 1 calc R . .
C13 C 0.0902(3) 0.2592(3) 0.3959(2) 0.0256(9) Uani 1 1 d . . .
C14 C 0.0052(4) 0.2787(4) 0.4334(3) 0.0380(11) Uani 1 1 d . . .
H14 H -0.0333 0.3313 0.4246 0.046 Uiso 1 1 calc R . .
C15 C -0.0256(4) 0.2246(4) 0.4830(3) 0.0446(13) Uani 1 1 d . . .
H15 H -0.0841 0.2405 0.5078 0.054 Uiso 1 1 calc R . .
C16 C 0.0285(4) 0.1471(4) 0.4965(3) 0.0409(12) Uani 1 1 d . . .
H16 H 0.0083 0.1100 0.5309 0.049 Uiso 1 1 calc R . .
C17 C 0.1116(4) 0.1249(4) 0.4595(3) 0.0370(11) Uani 1 1 d . . .
H17 H 0.1486 0.0712 0.4678 0.044 Uiso 1 1 calc R . .
C18 C 0.1425(4) 0.1797(3) 0.4099(2) 0.0310(10) Uani 1 1 d . . .
H18 H 0.2005 0.1628 0.3849 0.037 Uiso 1 1 calc R . .
C19 C 0.0611(3) 0.6612(3) 0.2517(3) 0.0298(10) Uani 1 1 d . . .
C20 C -0.0268(4) 0.6789(4) 0.2042(3) 0.0438(13) Uani 1 1 d . . .
H20 H -0.0680 0.6221 0.1609 0.053 Uiso 1 1 calc R . .
C21 C -0.0568(5) 0.7774(5) 0.2179(4) 0.0560(15) Uani 1 1 d . . .
H21 H -0.1168 0.7873 0.1840 0.067 Uiso 1 1 calc R . .
C22 C 0.0011(5) 0.8589(4) 0.2802(3) 0.0518(15) Uani 1 1 d . . .
H22 H -0.0179 0.9264 0.2895 0.062 Uiso 1 1 calc R . .
C23 C 0.0871(5) 0.8443(4) 0.3300(3) 0.0522(14) Uani 1 1 d . . .
H23 H 0.1265 0.9008 0.3741 0.063 Uiso 1 1 calc R . .
C24 C 0.1151(4) 0.7468(4) 0.3150(3) 0.0415(12) Uani 1 1 d . . .
H24 H 0.1744 0.7376 0.3497 0.050 Uiso 1 1 calc R . .
C25 C 0.2701(3) 0.0821(3) 0.1721(2) 0.0268(9) Uani 1 1 d . . .
C26 C 0.3841(4) 0.0969(4) 0.2041(3) 0.0364(11) Uani 1 1 d . . .
H26 H 0.4320 0.1664 0.2199 0.044 Uiso 1 1 calc R . .
C27 C 0.4278(4) 0.0109(5) 0.2129(3) 0.0488(14) Uani 1 1 d . . .
H27 H 0.5057 0.0222 0.2336 0.059 Uiso 1 1 calc R . .
C28 C 0.3606(5) -0.0893(4) 0.1924(3) 0.0487(13) Uani 1 1 d . . .
H28 H 0.3918 -0.1475 0.1982 0.058 Uiso 1 1 calc R . .
C29 C 0.2479(5) -0.1060(4) 0.1635(3) 0.0486(13) Uani 1 1 d . . .
H29 H 0.2005 -0.1753 0.1507 0.058 Uiso 1 1 calc R . .
C30 C 0.2032(4) -0.0212(4) 0.1527(3) 0.0376(11) Uani 1 1 d . . .
H30 H 0.1252 -0.0339 0.1317 0.045 Uiso 1 1 calc R . .
C31 C 0.2467(3) 0.4519(4) 0.0334(2) 0.0268(9) Uani 1 1 d . . .
C32 C 0.2833(4) 0.4085(4) -0.0311(3) 0.0400(12) Uani 1 1 d . . .
H32 H 0.2770 0.3336 -0.0482 0.048 Uiso 1 1 calc R . .
C33 C 0.3291(5) 0.4730(5) -0.0712(3) 0.0536(15) Uani 1 1 d . . .
H33 H 0.3526 0.4418 -0.1158 0.064 Uiso 1 1 calc R . .
C34 C 0.3405(4) 0.5813(5) -0.0466(3) 0.0487(14) Uani 1 1 d . . .
H34 H 0.3725 0.6251 -0.0739 0.058 Uiso 1 1 calc R . .
C35 C 0.3058(4) 0.6267(4) 0.0173(3) 0.0379(11) Uani 1 1 d . . .
H35 H 0.3139 0.7019 0.0344 0.046 Uiso 1 1 calc R . .
C36 C 0.2588(4) 0.5626(4) 0.0570(3) 0.0331(10) Uani 1 1 d . . .
H36 H 0.2344 0.5945 0.1010 0.040 Uiso 1 1 calc R . .
C37 C -0.1601(3) 0.2176(3) 0.1140(2) 0.0267(9) Uani 1 1 d . . .
C38 C -0.2219(4) 0.2477(4) 0.1679(3) 0.0353(11) Uani 1 1 d . . .
H38 H -0.1840 0.2944 0.2165 0.042 Uiso 1 1 calc R . .
C39 C -0.3374(4) 0.2112(4) 0.1526(3) 0.0392(12) Uani 1 1 d . . .
H39 H -0.3779 0.2326 0.1904 0.047 Uiso 1 1 calc R . .
C40 C -0.3931(4) 0.1440(4) 0.0825(3) 0.0414(13) Uani 1 1 d . . .
H40 H -0.4724 0.1188 0.0719 0.050 Uiso 1 1 calc R . .
C41 C -0.3350(4) 0.1130(4) 0.0277(3) 0.0444(13) Uani 1 1 d . . .
H41 H -0.3737 0.0677 -0.0211 0.053 Uiso 1 1 calc R . .
C42 C -0.2179(4) 0.1488(4) 0.0445(3) 0.0348(11) Uani 1 1 d . . .
H42 H -0.1774 0.1252 0.0071 0.042 Uiso 1 1 calc R . .
C43 C 0.0770(4) 0.1452(4) -0.0053(2) 0.0373(11) Uani 1 1 d . . .
H43A H 0.0357 0.1771 -0.0391 0.056 Uiso 1 1 calc R . .
H43B H 0.0298 0.0771 -0.0067 0.056 Uiso 1 1 calc R . .
H43C H 0.1457 0.1328 -0.0219 0.056 Uiso 1 1 calc R . .
C44 C 0.3929(3) 0.3143(3) 0.1260(2) 0.0259(9) Uani 1 1 d . . .
H44A H 0.4271 0.3776 0.1132 0.039 Uiso 1 1 calc R . .
H44B H 0.3574 0.2560 0.0795 0.039 Uiso 1 1 calc R . .
H44C H 0.4510 0.2924 0.1563 0.039 Uiso 1 1 calc R . .
C45 C 0.0216(3) 0.1257(3) 0.2212(2) 0.0286(10) Uani 1 1 d . . .
H45A H 0.0699 0.0912 0.2486 0.043 Uiso 1 1 calc R . .
H45B H -0.0092 0.0793 0.1693 0.043 Uiso 1 1 calc R . .
H45C H -0.0401 0.1383 0.2464 0.043 Uiso 1 1 calc R . .
C46 C -0.0076(3) 0.4442(4) 0.0853(2) 0.0303(10) Uani 1 1 d . . .
H46A H -0.0791 0.4482 0.1005 0.045 Uiso 1 1 calc R . .
H46B H -0.0212 0.3884 0.0370 0.045 Uiso 1 1 calc R . .
H46C H 0.0270 0.5131 0.0799 0.045 Uiso 1 1 calc R . .
C47 C 0.3473(4) 0.6629(3) 0.2705(2) 0.0302(10) Uani 1 1 d . . .
H47A H 0.3741 0.6447 0.2236 0.045 Uiso 1 1 calc R . .
H47B H 0.4118 0.6953 0.3133 0.045 Uiso 1 1 calc R . .
H47C H 0.2996 0.7137 0.2684 0.045 Uiso 1 1 calc R . .
C48 C 0.3750(3) 0.3645(4) 0.3969(2) 0.0316(10) Uani 1 1 d . . .
H48A H 0.3837 0.2939 0.3697 0.047 Uiso 1 1 calc R . .
H48B H 0.3432 0.3596 0.4406 0.047 Uiso 1 1 calc R . .
H48C H 0.4485 0.4150 0.4140 0.047 Uiso 1 1 calc R . .
C49 C 0.0049(4) 0.4968(4) 0.3616(3) 0.0342(11) Uani 1 1 d . . .
H49A H -0.0059 0.5665 0.3582 0.051 Uiso 1 1 calc R . .
H49B H 0.0235 0.4995 0.4148 0.051 Uiso 1 1 calc R . .
H49C H -0.0643 0.4420 0.3359 0.051 Uiso 1 1 calc R . .
C50 C -0.2390(9) -0.0737(10) 0.3559(6) 0.077(3) Uani 0.656(9) 1 d PDU A 1
H50A H -0.2854 -0.1185 0.3785 0.115 Uiso 0.656(9) 1 d PR A 1
H50B H -0.2360 0.0016 0.3801 0.115 Uiso 0.656(9) 1 d PR A 1
H50C H -0.1629 -0.0857 0.3630 0.115 Uiso 0.656(9) 1 d PR A 1
C51 C -0.2891(7) -0.1020(6) 0.2734(5) 0.048(2) Uani 0.656(9) 1 d PDU A 1
C52 C -0.2591(13) -0.0344(10) 0.2324(8) 0.067(4) Uani 0.656(9) 1 d PDU A 1
H52 H -0.2056 0.0314 0.2567 0.080 Uiso 0.656(9) 1 calc PR A 1
C53 C -0.3046(11) -0.0605(11) 0.1578(8) 0.091(4) Uani 0.656(9) 1 d PDU A 1
H53 H -0.2843 -0.0119 0.1307 0.109 Uiso 0.656(9) 1 calc PR A 1
C54 C -0.3800(12) -0.1564(12) 0.1209(7) 0.092(4) Uani 0.656(9) 1 d PDU A 1
H54 H -0.4091 -0.1755 0.0681 0.110 Uiso 0.656(9) 1 calc PR A 1
C55 C -0.4132(11) -0.2250(10) 0.1613(6) 0.069(3) Uani 0.656(9) 1 d PDU A 1
H55 H -0.4670 -0.2907 0.1370 0.083 Uiso 0.656(9) 1 calc PR A 1
C56 C -0.3668(11) -0.1962(9) 0.2372(6) 0.048(3) Uani 0.656(9) 1 d PDU A 1
H56 H -0.3892 -0.2428 0.2653 0.058 Uiso 0.656(9) 1 calc PR A 1
C50D C -0.3933(16) -0.1450(19) 0.0838(10) 0.077(3) Uani 0.344(9) 1 d PDU A 2
H50D H -0.4685 -0.1310 0.0754 0.115 Uiso 0.344(9) 1 calc PR A 2
H50E H -0.3968 -0.2191 0.0558 0.115 Uiso 0.344(9) 1 calc PR A 2
H50F H -0.3424 -0.0964 0.0662 0.115 Uiso 0.344(9) 1 calc PR A 2
C51D C -0.3517(11) -0.1276(12) 0.1646(9) 0.051(4) Uani 0.344(9) 1 d PDU A 2
C52D C -0.384(2) -0.2050(16) 0.1981(11) 0.059(6) Uani 0.344(9) 1 d PDU A 2
H52D H -0.4343 -0.2713 0.1694 0.071 Uiso 0.344(9) 1 calc PR A 2
C53D C -0.343(2) -0.1839(18) 0.2735(12) 0.067(6) Uani 0.344(9) 1 d PDU A 2
H53D H -0.3638 -0.2372 0.2970 0.081 Uiso 0.344(9) 1 calc PR A 2
C54D C -0.2724(19) -0.0883(18) 0.3162(11) 0.072(6) Uani 0.344(9) 1 d PDU A 2
H54D H -0.2482 -0.0747 0.3690 0.086 Uiso 0.344(9) 1 calc PR A 2
C55D C -0.2367(17) -0.0125(15) 0.2832(10) 0.064(5) Uani 0.344(9) 1 d PDU A 2
H55D H -0.1847 0.0526 0.3118 0.076 Uiso 0.344(9) 1 calc PR A 2
C56D C -0.278(2) -0.0334(17) 0.2069(11) 0.054(6) Uani 0.344(9) 1 d PDU A 2
H56D H -0.2556 0.0191 0.1832 0.065 Uiso 0.344(9) 1 calc PR A 2
C57 C 0.387(2) 1.031(2) 0.4148(15) 0.117(4) Uani 0.50 1 d PD B -1
H57A H 0.3512 0.9620 0.3766 0.175 Uiso 0.50 1 calc PR B -1
H57B H 0.4286 1.0785 0.3917 0.175 Uiso 0.50 1 calc PR B -1
H57C H 0.3292 1.0631 0.4353 0.175 Uiso 0.50 1 calc PR B -1
C58 C 0.4612(9) 1.0148(11) 0.4732(7) 0.059(3) Uani 0.50 1 d PD B -1
C59 C 0.524(2) 0.9398(19) 0.4580(11) 0.080(2) Uani 0.50 1 d PD B -1
H59 H 0.5159 0.8992 0.4070 0.096 Uiso 0.50 1 calc PR B -1
C60 C 0.5971(11) 0.9208(11) 0.5138(10) 0.083(5) Uani 0.50 1 d PD B -1
H60 H 0.6389 0.8679 0.5016 0.100 Uiso 0.50 1 calc PR B -1
C61 C 0.609(2) 0.9802(18) 0.5876(13) 0.117(4) Uani 0.50 1 d PD B -1
H61 H 0.6585 0.9688 0.6270 0.140 Uiso 0.50 1 calc PR B -1
C62 C 0.5469(13) 1.0562(11) 0.6037(9) 0.086(5) Uani 0.50 1 d PD B -1
H62 H 0.5539 1.0969 0.6545 0.103 Uiso 0.50 1 calc PR B -1
C63 C 0.476(2) 1.074(2) 0.5472(10) 0.080(2) Uani 0.50 1 d PD B -1
H63 H 0.4355 1.1276 0.5593 0.096 Uiso 0.50 1 calc PR B -1
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
C1 Ga1 N5 133.93(16) . . ?
C1 Ga1 N7 120.12(15) . . ?
N5 Ga1 N7 88.41(13) . . ?
C1 Ga1 N6 123.68(15) . . ?
N5 Ga1 N6 88.89(13) . . ?
N7 Ga1 N6 89.16(13) . . ?
C1 Ga1 Ga3 127.22(13) . . ?
N5 Ga1 Ga3 98.76(10) . . ?
N7 Ga1 Ga3 45.47(10) . . ?
N6 Ga1 Ga3 45.68(9) . . ?
C1 Ga1 Ga2 139.87(12) . . ?
N5 Ga1 Ga2 45.99(9) . . ?
N7 Ga1 Ga2 99.49(9) . . ?
N6 Ga1 Ga2 45.10(9) . . ?
Ga3 Ga1 Ga2 75.808(17) . . ?
C1 Ga1 Ga4 136.46(12) . . ?
N5 Ga1 Ga4 45.40(9) . . ?
N7 Ga1 Ga4 44.88(9) . . ?
N6 Ga1 Ga4 98.89(9) . . ?
Ga3 Ga1 Ga4 75.131(17) . . ?
Ga2 Ga1 Ga4 76.285(17) . . ?
N2 Ga2 N6 110.44(14) . . ?
N2 Ga2 C7 119.38(15) . . ?
N6 Ga2 C7 114.13(15) . . ?
N2 Ga2 N5 111.35(13) . . ?
N6 Ga2 N5 89.15(13) . . ?
C7 Ga2 N5 108.27(15) . . ?
N2 Ga2 Ga1 131.29(9) . . ?
N6 Ga2 Ga1 45.88(10) . . ?
C7 Ga2 Ga1 109.24(12) . . ?
N5 Ga2 Ga1 45.48(9) . . ?
N3 Ga3 N7 111.75(13) . . ?
N3 Ga3 C13 110.06(15) . . ?
N7 Ga3 C13 118.29(15) . . ?
N3 Ga3 N6 111.32(13) . . ?
N7 Ga3 N6 89.53(13) . . ?
C13 Ga3 N6 114.49(15) . . ?
N3 Ga3 Ga1 131.85(9) . . ?
N7 Ga3 Ga1 45.63(10) . . ?
C13 Ga3 Ga1 118.03(12) . . ?
N6 Ga3 Ga1 45.91(10) . . ?
N4 Ga4 N7 111.94(14) . . ?
N4 Ga4 C19 118.87(16) . . ?
N7 Ga4 C19 111.55(16) . . ?
N4 Ga4 N5 111.99(13) . . ?
N7 Ga4 N5 88.70(13) . . ?
C19 Ga4 N5 109.80(16) . . ?
N4 Ga4 Ga1 131.84(9) . . ?
N7 Ga4 Ga1 45.34(10) . . ?
C19 Ga4 Ga1 109.29(13) . . ?
N5 Ga4 Ga1 45.24(9) . . ?
C25 Ga5 N3 115.56(15) . . ?
C25 Ga5 N2 119.66(15) . . ?
N3 Ga5 N2 109.02(13) . . ?
C25 Ga5 N1 129.43(16) . . ?
N3 Ga5 N1 89.10(13) . . ?
N2 Ga5 N1 88.10(13) . . ?
C25 Ga5 Ga7 144.09(12) . . ?
N3 Ga5 Ga7 44.60(9) . . ?
N2 Ga5 Ga7 96.25(9) . . ?
N1 Ga5 Ga7 45.10(10) . . ?
C25 Ga5 Ga6 149.99(12) . . ?
N3 Ga5 Ga6 94.41(9) . . ?
N2 Ga5 Ga6 44.68(9) . . ?
N1 Ga5 Ga6 44.66(10) . . ?
Ga7 Ga5 Ga6 59.232(15) . . ?
C31 Ga6 N4 115.23(16) . . ?
C31 Ga6 N1 131.53(16) . . ?
N4 Ga6 N1 89.92(14) . . ?
C31 Ga6 N2 116.21(14) . . ?
N4 Ga6 N2 111.28(13) . . ?
N1 Ga6 N2 88.07(13) . . ?
C31 Ga6 Ga7 147.11(12) . . ?
N4 Ga6 Ga7 45.24(10) . . ?
N1 Ga6 Ga7 45.56(10) . . ?
N2 Ga6 Ga7 96.67(9) . . ?
C31 Ga6 Ga5 148.08(12) . . ?
N4 Ga6 Ga5 96.65(9) . . ?
N1 Ga6 Ga5 44.96(9) . . ?
N2 Ga6 Ga5 44.34(9) . . ?
Ga7 Ga6 Ga5 60.015(15) . . ?
C37 Ga7 N3 117.07(15) . . ?
C37 Ga7 N4 119.50(15) . . ?
N3 Ga7 N4 108.70(13) . . ?
C37 Ga7 N1 126.17(16) . . ?
N3 Ga7 N1 89.42(13) . . ?
N4 Ga7 N1 89.91(14) . . ?
C37 Ga7 Ga6 146.96(12) . . ?
N3 Ga7 Ga6 95.78(9) . . ?
N4 Ga7 Ga6 45.26(9) . . ?
N1 Ga7 Ga6 45.53(10) . . ?
C37 Ga7 Ga5 143.11(12) . . ?
N3 Ga7 Ga5 44.65(9) . . ?
N4 Ga7 Ga5 97.32(9) . . ?
N1 Ga7 Ga5 45.39(9) . . ?
Ga6 Ga7 Ga5 60.753(16) . . ?
C43 N1 Ga6 121.7(3) . . ?
C43 N1 Ga7 128.0(3) . . ?
Ga6 N1 Ga7 88.92(14) . . ?
C43 N1 Ga5 126.8(3) . . ?
Ga6 N1 Ga5 90.38(13) . . ?
Ga7 N1 Ga5 89.51(13) . . ?
C44 N2 Ga2 114.6(2) . . ?
C44 N2 Ga5 106.7(2) . . ?
Ga2 N2 Ga5 120.37(16) . . ?
C44 N2 Ga6 103.2(2) . . ?
Ga2 N2 Ga6 117.56(16) . . ?
Ga5 N2 Ga6 90.98(13) . . ?
C45 N3 Ga3 110.3(2) . . ?
C45 N3 Ga7 106.0(2) . . ?
Ga3 N3 Ga7 120.48(16) . . ?
C45 N3 Ga5 108.9(2) . . ?
Ga3 N3 Ga5 118.48(16) . . ?
Ga7 N3 Ga5 90.75(13) . . ?
C46 N4 Ga4 114.0(3) . . ?
C46 N4 Ga7 105.2(2) . . ?
Ga4 N4 Ga7 121.15(16) . . ?
C46 N4 Ga6 106.4(2) . . ?
Ga4 N4 Ga6 117.31(16) . . ?
Ga7 N4 Ga6 89.49(14) . . ?
C47 N5 Ga1 126.1(3) . . ?
C47 N5 Ga4 117.4(3) . . ?
Ga1 N5 Ga4 89.36(13) . . ?
C47 N5 Ga2 112.1(2) . . ?
Ga1 N5 Ga2 88.53(13) . . ?
Ga4 N5 Ga2 119.29(16) . . ?
C48 N6 Ga2 114.7(2) . . ?
C48 N6 Ga3 116.6(3) . . ?
Ga2 N6 Ga3 119.25(16) . . ?
C48 N6 Ga1 123.7(3) . . ?
Ga2 N6 Ga1 89.02(13) . . ?
Ga3 N6 Ga1 88.41(13) . . ?
C49 N7 Ga4 115.0(3) . . ?
C49 N7 Ga3 118.1(3) . . ?
Ga4 N7 Ga3 118.54(16) . . ?
C49 N7 Ga1 120.4(3) . . ?
Ga4 N7 Ga1 89.78(13) . . ?
Ga3 N7 Ga1 88.91(13) . . ?
C6 C1 C2 117.8(4) . . ?
C6 C1 Ga1 124.7(3) . . ?
C2 C1 Ga1 117.4(3) . . ?
C3 C2 C1 121.4(4) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
C4 C3 C2 119.9(5) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.0(5) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 120.1(5) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C5 120.7(5) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C12 C7 C8 116.3(4) . . ?
C12 C7 Ga2 117.3(3) . . ?
C8 C7 Ga2 126.2(3) . . ?
C9 C8 C7 121.9(4) . . ?
C9 C8 H8 119.0 . . ?
C7 C8 H8 119.0 . . ?
C10 C9 C8 120.5(4) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 119.2(4) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 H10 120.4 . . ?
C10 C11 C12 120.7(4) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C7 C12 C11 121.4(4) . . ?
C7 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C14 C13 C18 116.2(4) . . ?
C14 C13 Ga3 124.6(3) . . ?
C18 C13 Ga3 119.1(3) . . ?
C15 C14 C13 122.5(4) . . ?
C15 C14 H14 118.8 . . ?
C13 C14 H14 118.8 . . ?
C14 C15 C16 120.1(4) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C17 C16 C15 118.8(4) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
C16 C17 C18 120.9(5) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C13 121.5(4) . . ?
C17 C18 H18 119.3 . . ?
C13 C18 H18 119.3 . . ?
C24 C19 C20 115.5(4) . . ?
C24 C19 Ga4 116.6(3) . . ?
C20 C19 Ga4 127.9(4) . . ?
C19 C20 C21 122.4(5) . . ?
C19 C20 H20 118.8 . . ?
C21 C20 H20 118.8 . . ?
C22 C21 C20 119.2(5) . . ?
C22 C21 H21 120.4 . . ?
C20 C21 H21 120.4 . . ?
C21 C22 C23 120.6(5) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C24 C23 C22 119.0(5) . . ?
C24 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?
C23 C24 C19 123.4(5) . . ?
C23 C24 H24 118.3 . . ?
C19 C24 H24 118.3 . . ?
C30 C25 C26 116.9(4) . . ?
C30 C25 Ga5 121.5(3) . . ?
C26 C25 Ga5 121.4(3) . . ?
C27 C26 C25 120.7(5) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C28 C27 C26 120.9(5) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C27 C28 C29 119.9(5) . . ?
C27 C28 H28 120.1 . . ?
C29 C28 H28 120.1 . . ?
C28 C29 C30 119.9(5) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C25 121.6(4) . . ?
C29 C30 H30 119.2 . . ?
C25 C30 H30 119.2 . . ?
C32 C31 C36 117.6(4) . . ?
C32 C31 Ga6 124.1(3) . . ?
C36 C31 Ga6 118.2(3) . . ?
C31 C32 C33 121.0(5) . . ?
C31 C32 H32 119.5 . . ?
C33 C32 H32 119.5 . . ?
C34 C33 C32 120.2(5) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 120.2(5) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C34 C35 C36 119.8(5) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C35 C36 C31 121.3(4) . . ?
C35 C36 H36 119.4 . . ?
C31 C36 H36 119.4 . . ?
C42 C37 C38 117.5(4) . . ?
C42 C37 Ga7 121.6(3) . . ?
C38 C37 Ga7 120.8(3) . . ?
C39 C38 C37 121.5(4) . . ?
C39 C38 H38 119.2 . . ?
C37 C38 H38 119.2 . . ?
C40 C39 C38 119.7(4) . . ?
C40 C39 H39 120.1 . . ?
C38 C39 H39 120.1 . . ?
C41 C40 C39 120.4(4) . . ?
C41 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C40 C41 C42 119.2(5) . . ?
C40 C41 H41 120.4 . . ?
C42 C41 H41 120.4 . . ?
C37 C42 C41 121.5(4) . . ?
C37 C42 H42 119.2 . . ?
C41 C42 H42 119.2 . . ?
N1 C43 H43A 109.5 . . ?
N1 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
N1 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
N2 C44 H44A 109.5 . . ?
N2 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
N2 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N3 C45 H45A 109.5 . . ?
N3 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
N3 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N4 C46 H46A 109.5 . . ?
N4 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
N4 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N5 C47 H47A 109.5 . . ?
N5 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
N5 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
N6 C48 H48A 109.5 . . ?
N6 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
N6 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N7 C49 H49A 109.5 . . ?
N7 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
N7 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C51 C50 H50A 109.5 . . ?
C51 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C51 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C56 C51 C52 118.6(9) . . ?
C56 C51 C50 120.4(9) . . ?
C52 C51 C50 121.1(10) . . ?
C53 C52 C51 120.8(10) . . ?
C53 C52 H52 119.6 . . ?
C51 C52 H52 119.6 . . ?
C52 C53 C54 120.8(11) . . ?
C52 C53 H53 119.6 . . ?
C54 C53 H53 119.6 . . ?
C53 C54 C55 119.5(10) . . ?
C53 C54 H54 120.3 . . ?
C55 C54 H54 120.3 . . ?
C56 C55 C54 118.6(10) . . ?
C56 C55 H55 120.7 . . ?
C54 C55 H55 120.7 . . ?
C51 C56 C55 121.7(9) . . ?
C51 C56 H56 119.1 . . ?
C55 C56 H56 119.1 . . ?
C51D C50D H50D 109.5 . . ?
C51D C50D H50E 109.5 . . ?
H50D C50D H50E 109.5 . . ?
C51D C50D H50F 109.5 . . ?
H50D C50D H50F 109.5 . . ?
H50E C50D H50F 109.5 . . ?
C56D C51D C52D 119.7(13) . . ?
C56D C51D C50D 119.2(15) . . ?
C52D C51D C50D 121.1(15) . . ?
C53D C52D C51D 118.3(14) . . ?
C53D C52D H52D 120.8 . . ?
C51D C52D H52D 120.8 . . ?
C52D C53D C54D 121.9(15) . . ?
C52D C53D H53D 119.0 . . ?
C54D C53D H53D 119.0 . . ?
C55D C54D C53D 120.2(15) . . ?
C55D C54D H50A 151.0 . . ?
C53D C54D H50A 88.1 . . ?
C55D C54D H50B 80.3 . . ?
C53D C54D H50B 153.5 . . ?
H50A C54D H50B 70.8 . . ?
C55D C54D H50C 98.9 . . ?
C53D C54D H50C 120.3 . . ?
H50A C54D H50C 68.3 . . ?
H50B C54D H50C 67.3 . . ?
C55D C54D H54D 119.9 . . ?
C53D C54D H54D 119.9 . . ?
H50A C54D H54D 32.4 . . ?
H50B C54D H54D 43.2 . . ?
H50C C54D H54D 48.6 . . ?
C54D C55D C56D 118.0(14) . . ?
C54D C55D H55D 121.0 . . ?
C56D C55D H55D 121.0 . . ?
C51D C56D C55D 121.7(14) . . ?
C51D C56D H56D 119.1 . . ?
C55D C56D H56D 119.1 . . ?
C59 C58 C63 117.3(11) . . ?
C59 C58 C57 120.7(15) . . ?
C63 C58 C57 122.1(15) . . ?
C58 C59 C60 122.7(13) . . ?
C58 C59 H59 118.7 . . ?
C60 C59 H59 118.7 . . ?
C61 C60 C59 118.5(14) . . ?
C61 C60 H60 120.7 . . ?
C59 C60 H60 120.7 . . ?
C62 C61 C60 119.5(16) . . ?
C62 C61 H61 120.3 . . ?
C60 C61 H61 120.3 . . ?
C63 C62 C61 120.5(14) . . ?
C63 C62 H62 119.7 . . ?
C61 C62 H62 119.7 . . ?
C62 C63 C58 121.6(13) . . ?
C62 C63 H63 119.2 . . ?
C58 C63 H63 119.2 . . ?
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 C1 1.961(4) . ?
Ga1 N5 1.982(3) . ?
Ga1 N7 1.985(3) . ?
Ga1 N6 1.995(3) . ?
Ga1 Ga3 2.7766(6) . ?
Ga1 Ga2 2.7785(6) . ?
Ga1 Ga4 2.7910(6) . ?
Ga2 N2 1.934(3) . ?
Ga2 N6 1.968(3) . ?
Ga2 C7 1.988(4) . ?
Ga2 N5 1.999(3) . ?
Ga3 N3 1.956(3) . ?
Ga3 N7 1.980(3) . ?
Ga3 C13 1.986(4) . ?
Ga3 N6 1.987(3) . ?
Ga4 N4 1.932(3) . ?
Ga4 N7 1.969(3) . ?
Ga4 C19 1.985(4) . ?
Ga4 N5 1.987(3) . ?
Ga5 C25 1.963(4) . ?
Ga5 N3 1.970(3) . ?
Ga5 N2 1.974(3) . ?
Ga5 N1 1.995(3) . ?
Ga5 Ga7 2.8030(6) . ?
Ga5 Ga6 2.8236(6) . ?
Ga6 C31 1.956(4) . ?
Ga6 N4 1.975(3) . ?
Ga6 N1 1.985(3) . ?
Ga6 N2 1.986(3) . ?
Ga6 Ga7 2.7806(6) . ?
Ga7 C37 1.960(4) . ?
Ga7 N3 1.968(3) . ?
Ga7 N4 1.975(3) . ?
Ga7 N1 1.986(3) . ?
N1 C43 1.486(5) . ?
N2 C44 1.510(5) . ?
N3 C45 1.506(5) . ?
N4 C46 1.512(5) . ?
N5 C47 1.484(5) . ?
N6 C48 1.489(5) . ?
N7 C49 1.488(5) . ?
C1 C6 1.379(6) . ?
C1 C2 1.390(6) . ?
C2 C3 1.376(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.364(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.374(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.387(7) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.394(6) . ?
C7 C8 1.398(6) . ?
C8 C9 1.391(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.366(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.373(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.397(6) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.385(6) . ?
C13 C18 1.397(6) . ?
C14 C15 1.382(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.383(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.367(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.388(6) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.388(7) . ?
C19 C20 1.390(6) . ?
C20 C21 1.400(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.361(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.380(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.375(7) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.395(6) . ?
C25 C26 1.402(6) . ?
C26 C27 1.389(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.362(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.371(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.392(7) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.386(6) . ?
C31 C36 1.398(6) . ?
C32 C33 1.392(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.370(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.372(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.387(6) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C42 1.379(6) . ?
C37 C38 1.388(6) . ?
C38 C39 1.384(6) . ?
C38 H38 0.9500 . ?
C39 C40 1.373(7) . ?
C39 H39 0.9500 . ?
C40 C41 1.371(7) . ?
C40 H40 0.9500 . ?
C41 C42 1.400(6) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C51 1.496(13) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C56 1.370(10) . ?
C51 C52 1.372(10) . ?
C52 C53 1.352(11) . ?
C52 H52 0.9500 . ?
C53 C54 1.375(12) . ?
C53 H53 0.9500 . ?
C54 C55 1.383(11) . ?
C54 H54 0.9500 . ?
C55 C56 1.375(10) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C50D C51D 1.468(17) . ?
C50D H50D 0.9800 . ?
C50D H50E 0.9800 . ?
C50D H50F 0.9800 . ?
C51D C56D 1.368(13) . ?
C51D C52D 1.378(13) . ?
C52D C53D 1.364(13) . ?
C52D H52D 0.9500 . ?
C53D C54D 1.369(13) . ?
C53D H53D 0.9500 . ?
C54D C55D 1.365(13) . ?
C54D H50A 1.3605 . ?
C54D H50B 1.4023 . ?
C54D H50C 1.4836 . ?
C54D H54D 0.9500 . ?
C55D C56D 1.381(13) . ?
C55D H55D 0.9500 . ?
C56D H56D 0.9500 . ?
C57 C58 1.40(3) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C59 1.371(13) . ?
C58 C63 1.372(13) . ?
C59 C60 1.385(13) . ?
C59 H59 0.9500 . ?
C60 C61 1.377(15) . ?
C60 H60 0.9500 . ?
C61 C62 1.376(15) . ?
C61 H61 0.9500 . ?
C62 C63 1.365(13) . ?
C62 H62 0.9500 . ?
C63 H63 0.9500 . ?
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
C1 Ga1 Ga2 N2 170.1(2) . . . . ?
N5 Ga1 Ga2 N2 -79.40(18) . . . . ?
N7 Ga1 Ga2 N2 -0.97(16) . . . . ?
N6 Ga1 Ga2 N2 78.21(18) . . . . ?
Ga3 Ga1 Ga2 N2 38.16(13) . . . . ?
Ga4 Ga1 Ga2 N2 -39.68(13) . . . . ?
C1 Ga1 Ga2 N6 91.9(2) . . . . ?
N5 Ga1 Ga2 N6 -157.61(18) . . . . ?
N7 Ga1 Ga2 N6 -79.18(16) . . . . ?
Ga3 Ga1 Ga2 N6 -40.06(13) . . . . ?
Ga4 Ga1 Ga2 N6 -117.89(13) . . . . ?
C1 Ga1 Ga2 C7 -13.5(2) . . . . ?
N5 Ga1 Ga2 C7 97.04(18) . . . . ?
N7 Ga1 Ga2 C7 175.47(15) . . . . ?
N6 Ga1 Ga2 C7 -105.35(18) . . . . ?
Ga3 Ga1 Ga2 C7 -145.40(12) . . . . ?
Ga4 Ga1 Ga2 C7 136.76(12) . . . . ?
C1 Ga1 Ga2 N5 -110.5(2) . . . . ?
N7 Ga1 Ga2 N5 78.43(16) . . . . ?
N6 Ga1 Ga2 N5 157.61(18) . . . . ?
Ga3 Ga1 Ga2 N5 117.56(13) . . . . ?
Ga4 Ga1 Ga2 N5 39.72(13) . . . . ?
C1 Ga1 Ga3 N3 177.47(19) . . . . ?
N5 Ga1 Ga3 N3 0.61(16) . . . . ?
N7 Ga1 Ga3 N3 79.61(18) . . . . ?
N6 Ga1 Ga3 N3 -79.14(18) . . . . ?
Ga2 Ga1 Ga3 N3 -39.57(12) . . . . ?
Ga4 Ga1 Ga3 N3 39.72(12) . . . . ?
C1 Ga1 Ga3 N7 97.9(2) . . . . ?
N5 Ga1 Ga3 N7 -79.00(16) . . . . ?
N6 Ga1 Ga3 N7 -158.75(18) . . . . ?
Ga2 Ga1 Ga3 N7 -119.18(13) . . . . ?
Ga4 Ga1 Ga3 N7 -39.89(13) . . . . ?
C1 Ga1 Ga3 C13 -5.5(2) . . . . ?
N5 Ga1 Ga3 C13 177.69(16) . . . . ?
N7 Ga1 Ga3 C13 -103.31(19) . . . . ?
N6 Ga1 Ga3 C13 97.93(19) . . . . ?
Ga2 Ga1 Ga3 C13 137.51(13) . . . . ?
Ga4 Ga1 Ga3 C13 -143.20(13) . . . . ?
C1 Ga1 Ga3 N6 -103.4(2) . . . . ?
N5 Ga1 Ga3 N6 79.76(16) . . . . ?
N7 Ga1 Ga3 N6 158.75(18) . . . . ?
Ga2 Ga1 Ga3 N6 39.58(13) . . . . ?
Ga4 Ga1 Ga3 N6 118.87(13) . . . . ?
C1 Ga1 Ga4 N4 -168.2(2) . . . . ?
N5 Ga1 Ga4 N4 79.63(19) . . . . ?
N7 Ga1 Ga4 N4 -79.64(19) . . . . ?
N6 Ga1 Ga4 N4 0.10(16) . . . . ?
Ga3 Ga1 Ga4 N4 -39.26(13) . . . . ?
Ga2 Ga1 Ga4 N4 39.42(13) . . . . ?
C1 Ga1 Ga4 N7 -88.6(2) . . . . ?
N5 Ga1 Ga4 N7 159.26(19) . . . . ?
N6 Ga1 Ga4 N7 79.74(16) . . . . ?
Ga3 Ga1 Ga4 N7 40.38(13) . . . . ?
Ga2 Ga1 Ga4 N7 119.06(14) . . . . ?
C1 Ga1 Ga4 C19 13.0(2) . . . . ?
N5 Ga1 Ga4 C19 -99.12(18) . . . . ?
N7 Ga1 Ga4 C19 101.61(18) . . . . ?
N6 Ga1 Ga4 C19 -178.64(16) . . . . ?
Ga3 Ga1 Ga4 C19 142.00(13) . . . . ?
Ga2 Ga1 Ga4 C19 -139.32(13) . . . . ?
C1 Ga1 Ga4 N5 112.1(2) . . . . ?
N7 Ga1 Ga4 N5 -159.26(19) . . . . ?
N6 Ga1 Ga4 N5 -79.52(16) . . . . ?
Ga3 Ga1 Ga4 N5 -118.88(13) . . . . ?
Ga2 Ga1 Ga4 N5 -40.20(13) . . . . ?
C25 Ga5 Ga6 C31 -6.5(3) . . . . ?
N3 Ga5 Ga6 C31 176.2(3) . . . . ?
N2 Ga5 Ga6 C31 63.4(3) . . . . ?
N1 Ga5 Ga6 C31 -99.6(3) . . . . ?
Ga7 Ga5 Ga6 C31 -155.1(2) . . . . ?
C25 Ga5 Ga6 N4 176.3(3) . . . . ?
N3 Ga5 Ga6 N4 -1.05(13) . . . . ?
N2 Ga5 Ga6 N4 -113.80(16) . . . . ?
N1 Ga5 Ga6 N4 83.18(16) . . . . ?
Ga7 Ga5 Ga6 N4 27.67(9) . . . . ?
C25 Ga5 Ga6 N1 93.1(3) . . . . ?
N3 Ga5 Ga6 N1 -84.23(16) . . . . ?
N2 Ga5 Ga6 N1 163.02(19) . . . . ?
Ga7 Ga5 Ga6 N1 -55.51(13) . . . . ?
C25 Ga5 Ga6 N2 -69.9(3) . . . . ?
N3 Ga5 Ga6 N2 112.75(16) . . . . ?
N1 Ga5 Ga6 N2 -163.02(19) . . . . ?
Ga7 Ga5 Ga6 N2 141.47(13) . . . . ?
C25 Ga5 Ga6 Ga7 148.6(2) . . . . ?
N3 Ga5 Ga6 Ga7 -28.72(9) . . . . ?
N2 Ga5 Ga6 Ga7 -141.47(13) . . . . ?
N1 Ga5 Ga6 Ga7 55.51(13) . . . . ?
C31 Ga6 Ga7 C37 10.7(3) . . . . ?
N4 Ga6 Ga7 C37 75.4(3) . . . . ?
N1 Ga6 Ga7 C37 -90.4(3) . . . . ?
N2 Ga6 Ga7 C37 -171.1(2) . . . . ?
Ga5 Ga6 Ga7 C37 -145.1(2) . . . . ?
C31 Ga6 Ga7 N3 -175.4(3) . . . . ?
N4 Ga6 Ga7 N3 -110.69(16) . . . . ?
N1 Ga6 Ga7 N3 83.48(16) . . . . ?
N2 Ga6 Ga7 N3 2.81(13) . . . . ?
Ga5 Ga6 Ga7 N3 28.81(9) . . . . ?
C31 Ga6 Ga7 N4 -64.7(3) . . . . ?
N1 Ga6 Ga7 N4 -165.83(18) . . . . ?
N2 Ga6 Ga7 N4 113.50(16) . . . . ?
Ga5 Ga6 Ga7 N4 139.50(13) . . . . ?
C31 Ga6 Ga7 N1 101.2(3) . . . . ?
N4 Ga6 Ga7 N1 165.83(18) . . . . ?
N2 Ga6 Ga7 N1 -80.67(16) . . . . ?
Ga5 Ga6 Ga7 N1 -54.67(13) . . . . ?
C31 Ga6 Ga7 Ga5 155.8(2) . . . . ?
N4 Ga6 Ga7 Ga5 -139.50(13) . . . . ?
N1 Ga6 Ga7 Ga5 54.67(13) . . . . ?
N2 Ga6 Ga7 Ga5 -26.00(9) . . . . ?
C25 Ga5 Ga7 C37 -5.0(3) . . . . ?
N3 Ga5 Ga7 C37 -74.3(3) . . . . ?
N2 Ga5 Ga7 C37 174.8(2) . . . . ?
N1 Ga5 Ga7 C37 93.8(3) . . . . ?
Ga6 Ga5 Ga7 C37 148.7(2) . . . . ?
C25 Ga5 Ga7 N3 69.4(2) . . . . ?
N2 Ga5 Ga7 N3 -110.84(16) . . . . ?
N1 Ga5 Ga7 N3 168.15(19) . . . . ?
Ga6 Ga5 Ga7 N3 -136.98(13) . . . . ?
C25 Ga5 Ga7 N4 178.6(2) . . . . ?
N3 Ga5 Ga7 N4 109.26(16) . . . . ?
N2 Ga5 Ga7 N4 -1.58(13) . . . . ?
N1 Ga5 Ga7 N4 -82.59(17) . . . . ?
Ga6 Ga5 Ga7 N4 -27.72(10) . . . . ?
C25 Ga5 Ga7 N1 -98.8(2) . . . . ?
N3 Ga5 Ga7 N1 -168.15(19) . . . . ?
N2 Ga5 Ga7 N1 81.01(17) . . . . ?
Ga6 Ga5 Ga7 N1 54.87(14) . . . . ?
C25 Ga5 Ga7 Ga6 -153.7(2) . . . . ?
N3 Ga5 Ga7 Ga6 136.98(13) . . . . ?
N2 Ga5 Ga7 Ga6 26.14(9) . . . . ?
N1 Ga5 Ga7 Ga6 -54.87(14) . . . . ?
C31 Ga6 N1 C43 0.7(4) . . . . ?
N4 Ga6 N1 C43 125.4(3) . . . . ?
N2 Ga6 N1 C43 -123.3(3) . . . . ?
Ga7 Ga6 N1 C43 135.4(4) . . . . ?
Ga5 Ga6 N1 C43 -135.1(4) . . . . ?
C31 Ga6 N1 Ga7 -134.62(17) . . . . ?
N4 Ga6 N1 Ga7 -10.01(13) . . . . ?
N2 Ga6 N1 Ga7 101.29(13) . . . . ?
Ga5 Ga6 N1 Ga7 89.51(13) . . . . ?
C31 Ga6 N1 Ga5 135.87(17) . . . . ?
N4 Ga6 N1 Ga5 -99.51(13) . . . . ?
N2 Ga6 N1 Ga5 11.79(13) . . . . ?
Ga7 Ga6 N1 Ga5 -89.51(13) . . . . ?
C37 Ga7 N1 C43 6.8(4) . . . . ?
N3 Ga7 N1 C43 130.6(4) . . . . ?
N4 Ga7 N1 C43 -120.7(4) . . . . ?
Ga6 Ga7 N1 C43 -130.7(4) . . . . ?
Ga5 Ga7 N1 C43 138.9(4) . . . . ?
C37 Ga7 N1 Ga6 137.51(16) . . . . ?
N3 Ga7 N1 Ga6 -98.69(13) . . . . ?
N4 Ga7 N1 Ga6 10.01(13) . . . . ?
Ga5 Ga7 N1 Ga6 -90.39(13) . . . . ?
C37 Ga7 N1 Ga5 -132.10(16) . . . . ?
N3 Ga7 N1 Ga5 -8.30(13) . . . . ?
N4 Ga7 N1 Ga5 100.40(13) . . . . ?
Ga6 Ga7 N1 Ga5 90.39(13) . . . . ?
C25 Ga5 N1 C43 -8.3(4) . . . . ?
N3 Ga5 N1 C43 -131.4(3) . . . . ?
N2 Ga5 N1 C43 119.6(3) . . . . ?
Ga7 Ga5 N1 C43 -139.6(4) . . . . ?
Ga6 Ga5 N1 C43 131.4(4) . . . . ?
C25 Ga5 N1 Ga6 -139.72(17) . . . . ?
N3 Ga5 N1 Ga6 97.20(14) . . . . ?
N2 Ga5 N1 Ga6 -11.86(13) . . . . ?
Ga7 Ga5 N1 Ga6 88.91(14) . . . . ?
C25 Ga5 N1 Ga7 131.37(17) . . . . ?
N3 Ga5 N1 Ga7 8.29(13) . . . . ?
N2 Ga5 N1 Ga7 -100.77(13) . . . . ?
Ga6 Ga5 N1 Ga7 -88.91(14) . . . . ?
N6 Ga2 N2 C44 -134.5(3) . . . . ?
C7 Ga2 N2 C44 0.7(3) . . . . ?
N5 Ga2 N2 C44 128.1(3) . . . . ?
Ga1 Ga2 N2 C44 176.9(2) . . . . ?
N6 Ga2 N2 Ga5 -5.2(2) . . . . ?
C7 Ga2 N2 Ga5 130.05(18) . . . . ?
N5 Ga2 N2 Ga5 -102.62(18) . . . . ?
Ga1 Ga2 N2 Ga5 -53.8(2) . . . . ?
N6 Ga2 N2 Ga6 103.93(18) . . . . ?
C7 Ga2 N2 Ga6 -120.80(18) . . . . ?
N5 Ga2 N2 Ga6 6.5(2) . . . . ?
Ga1 Ga2 N2 Ga6 55.3(2) . . . . ?
C25 Ga5 N2 C44 43.2(3) . . . . ?
N3 Ga5 N2 C44 179.3(2) . . . . ?
N1 Ga5 N2 C44 -92.3(2) . . . . ?
Ga7 Ga5 N2 C44 -136.7(2) . . . . ?
Ga6 Ga5 N2 C44 -104.1(3) . . . . ?
C25 Ga5 N2 Ga2 -89.6(2) . . . . ?
N3 Ga5 N2 Ga2 46.6(2) . . . . ?
N1 Ga5 N2 Ga2 134.97(18) . . . . ?
Ga7 Ga5 N2 Ga2 90.54(16) . . . . ?
Ga6 Ga5 N2 Ga2 123.1(2) . . . . ?
C25 Ga5 N2 Ga6 147.28(15) . . . . ?
N3 Ga5 N2 Ga6 -76.54(14) . . . . ?
N1 Ga5 N2 Ga6 11.85(13) . . . . ?
Ga7 Ga5 N2 Ga6 -32.58(10) . . . . ?
C31 Ga6 N2 C44 -40.8(3) . . . . ?
N4 Ga6 N2 C44 -175.4(2) . . . . ?
N1 Ga6 N2 C44 95.4(2) . . . . ?
Ga7 Ga6 N2 C44 140.3(2) . . . . ?
Ga5 Ga6 N2 C44 107.4(3) . . . . ?
C31 Ga6 N2 Ga2 86.4(2) . . . . ?
N4 Ga6 N2 Ga2 -48.2(2) . . . . ?
N1 Ga6 N2 Ga2 -137.32(18) . . . . ?
Ga7 Ga6 N2 Ga2 -92.49(15) . . . . ?
Ga5 Ga6 N2 Ga2 -125.4(2) . . . . ?
C31 Ga6 N2 Ga5 -148.20(16) . . . . ?
N4 Ga6 N2 Ga5 77.24(15) . . . . ?
N1 Ga6 N2 Ga5 -11.92(13) . . . . ?
Ga7 Ga6 N2 Ga5 32.90(10) . . . . ?
N7 Ga3 N3 C45 -128.9(2) . . . . ?
C13 Ga3 N3 C45 4.7(3) . . . . ?
N6 Ga3 N3 C45 132.7(2) . . . . ?
Ga1 Ga3 N3 C45 -178.08(19) . . . . ?
N7 Ga3 N3 Ga7 -5.0(2) . . . . ?
C13 Ga3 N3 Ga7 128.60(19) . . . . ?
N6 Ga3 N3 Ga7 -103.36(18) . . . . ?
Ga1 Ga3 N3 Ga7 -54.2(2) . . . . ?
N7 Ga3 N3 Ga5 104.72(18) . . . . ?
C13 Ga3 N3 Ga5 -121.73(19) . . . . ?
N6 Ga3 N3 Ga5 6.3(2) . . . . ?
Ga1 Ga3 N3 Ga5 55.5(2) . . . . ?
C37 Ga7 N3 C45 29.6(3) . . . . ?
N4 Ga7 N3 C45 168.8(2) . . . . ?
N1 Ga7 N3 C45 -101.5(3) . . . . ?
Ga6 Ga7 N3 C45 -146.7(2) . . . . ?
Ga5 Ga7 N3 C45 -109.9(3) . . . . ?
C37 Ga7 N3 Ga3 -96.3(2) . . . . ?
N4 Ga7 N3 Ga3 42.8(2) . . . . ?
N1 Ga7 N3 Ga3 132.54(19) . . . . ?
Ga6 Ga7 N3 Ga3 87.38(16) . . . . ?
Ga5 Ga7 N3 Ga3 124.1(2) . . . . ?
C37 Ga7 N3 Ga5 139.53(16) . . . . ?
N4 Ga7 N3 Ga5 -81.30(14) . . . . ?
N1 Ga7 N3 Ga5 8.41(13) . . . . ?
Ga6 Ga7 N3 Ga5 -36.75(10) . . . . ?
C25 Ga5 N3 C45 -35.3(3) . . . . ?
N2 Ga5 N3 C45 -173.5(2) . . . . ?
N1 Ga5 N3 C45 98.8(2) . . . . ?
Ga7 Ga5 N3 C45 107.2(3) . . . . ?
Ga6 Ga5 N3 C45 143.2(2) . . . . ?
C25 Ga5 N3 Ga3 91.7(2) . . . . ?
N2 Ga5 N3 Ga3 -46.4(2) . . . . ?
N1 Ga5 N3 Ga3 -134.11(18) . . . . ?
Ga7 Ga5 N3 Ga3 -125.7(2) . . . . ?
Ga6 Ga5 N3 Ga3 -89.74(15) . . . . ?
C25 Ga5 N3 Ga7 -142.52(15) . . . . ?
N2 Ga5 N3 Ga7 79.31(14) . . . . ?
N1 Ga5 N3 Ga7 -8.37(13) . . . . ?
Ga6 Ga5 N3 Ga7 36.01(10) . . . . ?
N7 Ga4 N4 C46 131.4(3) . . . . ?
C19 Ga4 N4 C46 -0.9(3) . . . . ?
N5 Ga4 N4 C46 -130.7(3) . . . . ?
Ga1 Ga4 N4 C46 -179.6(2) . . . . ?
N7 Ga4 N4 Ga7 4.2(2) . . . . ?
C19 Ga4 N4 Ga7 -128.17(19) . . . . ?
N5 Ga4 N4 Ga7 102.06(19) . . . . ?
Ga1 Ga4 N4 Ga7 53.2(2) . . . . ?
N7 Ga4 N4 Ga6 -103.27(18) . . . . ?
C19 Ga4 N4 Ga6 124.34(19) . . . . ?
N5 Ga4 N4 Ga6 -5.4(2) . . . . ?
Ga1 Ga4 N4 Ga6 -54.3(2) . . . . ?
C37 Ga7 N4 C46 -35.8(3) . . . . ?
N3 Ga7 N4 C46 -173.8(2) . . . . ?
N1 Ga7 N4 C46 96.8(3) . . . . ?
Ga6 Ga7 N4 C46 106.9(3) . . . . ?
Ga5 Ga7 N4 C46 141.7(2) . . . . ?
C37 Ga7 N4 Ga4 95.3(2) . . . . ?
N3 Ga7 N4 Ga4 -42.8(2) . . . . ?
N1 Ga7 N4 Ga4 -132.12(19) . . . . ?
Ga6 Ga7 N4 Ga4 -122.1(2) . . . . ?
Ga5 Ga7 N4 Ga4 -87.22(16) . . . . ?
C37 Ga7 N4 Ga6 -142.68(16) . . . . ?
N3 Ga7 N4 Ga6 79.30(14) . . . . ?
N1 Ga7 N4 Ga6 -10.06(13) . . . . ?
Ga5 Ga7 N4 Ga6 34.84(10) . . . . ?
C31 Ga6 N4 C46 41.4(3) . . . . ?
N1 Ga6 N4 C46 -95.6(3) . . . . ?
N2 Ga6 N4 C46 176.5(2) . . . . ?
Ga7 Ga6 N4 C46 -105.7(3) . . . . ?
Ga5 Ga6 N4 C46 -140.2(2) . . . . ?
C31 Ga6 N4 Ga4 -87.6(2) . . . . ?
N1 Ga6 N4 Ga4 135.35(18) . . . . ?
N2 Ga6 N4 Ga4 47.5(2) . . . . ?
Ga7 Ga6 N4 Ga4 125.3(2) . . . . ?
Ga5 Ga6 N4 Ga4 90.79(16) . . . . ?
C31 Ga6 N4 Ga7 147.13(15) . . . . ?
N1 Ga6 N4 Ga7 10.06(13) . . . . ?
N2 Ga6 N4 Ga7 -77.83(14) . . . . ?
Ga5 Ga6 N4 Ga7 -34.50(10) . . . . ?
C1 Ga1 N5 C47 6.6(4) . . . . ?
N7 Ga1 N5 C47 138.7(3) . . . . ?
N6 Ga1 N5 C47 -132.1(3) . . . . ?
Ga3 Ga1 N5 C47 -176.9(3) . . . . ?
Ga2 Ga1 N5 C47 -116.5(3) . . . . ?
Ga4 Ga1 N5 C47 124.2(4) . . . . ?
C1 Ga1 N5 Ga4 -117.62(19) . . . . ?
N7 Ga1 N5 Ga4 14.47(13) . . . . ?
N6 Ga1 N5 Ga4 103.66(13) . . . . ?
Ga3 Ga1 N5 Ga4 58.90(10) . . . . ?
Ga2 Ga1 N5 Ga4 119.32(16) . . . . ?
C1 Ga1 N5 Ga2 123.06(19) . . . . ?
N7 Ga1 N5 Ga2 -104.84(13) . . . . ?
N6 Ga1 N5 Ga2 -15.65(13) . . . . ?
Ga3 Ga1 N5 Ga2 -60.42(10) . . . . ?
Ga4 Ga1 N5 Ga2 -119.32(16) . . . . ?
N4 Ga4 N5 C47 101.1(3) . . . . ?
N7 Ga4 N5 C47 -145.7(3) . . . . ?
C19 Ga4 N5 C47 -33.2(3) . . . . ?
Ga1 Ga4 N5 C47 -131.1(3) . . . . ?
N4 Ga4 N5 Ga1 -127.78(13) . . . . ?
N7 Ga4 N5 Ga1 -14.59(13) . . . . ?
C19 Ga4 N5 Ga1 97.89(16) . . . . ?
N4 Ga4 N5 Ga2 -39.8(2) . . . . ?
N7 Ga4 N5 Ga2 73.36(18) . . . . ?
C19 Ga4 N5 Ga2 -174.16(18) . . . . ?
Ga1 Ga4 N5 Ga2 87.95(18) . . . . ?
N2 Ga2 N5 C47 -103.8(3) . . . . ?
N6 Ga2 N5 C47 144.6(3) . . . . ?
C7 Ga2 N5 C47 29.4(3) . . . . ?
Ga1 Ga2 N5 C47 128.7(3) . . . . ?
N2 Ga2 N5 Ga1 127.53(12) . . . . ?
N6 Ga2 N5 Ga1 15.87(13) . . . . ?
C7 Ga2 N5 Ga1 -99.32(15) . . . . ?
N2 Ga2 N5 Ga4 39.1(2) . . . . ?
N6 Ga2 N5 Ga4 -72.57(18) . . . . ?
C7 Ga2 N5 Ga4 172.24(17) . . . . ?
Ga1 Ga2 N5 Ga4 -88.44(18) . . . . ?
N2 Ga2 N6 C48 104.6(3) . . . . ?
C7 Ga2 N6 C48 -33.1(3) . . . . ?
N5 Ga2 N6 C48 -142.8(3) . . . . ?
Ga1 Ga2 N6 C48 -127.1(3) . . . . ?
N2 Ga2 N6 Ga3 -40.6(2) . . . . ?
C7 Ga2 N6 Ga3 -178.44(17) . . . . ?
N5 Ga2 N6 Ga3 71.87(19) . . . . ?
Ga1 Ga2 N6 Ga3 87.63(18) . . . . ?
N2 Ga2 N6 Ga1 -128.28(12) . . . . ?
C7 Ga2 N6 Ga1 93.93(16) . . . . ?
N5 Ga2 N6 Ga1 -15.76(13) . . . . ?
N3 Ga3 N6 C48 -104.4(3) . . . . ?
N7 Ga3 N6 C48 142.3(3) . . . . ?
C13 Ga3 N6 C48 21.2(3) . . . . ?
Ga1 Ga3 N6 C48 127.3(3) . . . . ?
N3 Ga3 N6 Ga2 40.3(2) . . . . ?
N7 Ga3 N6 Ga2 -72.98(19) . . . . ?
C13 Ga3 N6 Ga2 165.88(18) . . . . ?
Ga1 Ga3 N6 Ga2 -87.99(18) . . . . ?
N3 Ga3 N6 Ga1 128.26(12) . . . . ?
N7 Ga3 N6 Ga1 15.01(13) . . . . ?
C13 Ga3 N6 Ga1 -106.13(16) . . . . ?
C1 Ga1 N6 C48 -9.8(4) . . . . ?
N5 Ga1 N6 C48 135.3(3) . . . . ?
N7 Ga1 N6 C48 -136.2(3) . . . . ?
Ga3 Ga1 N6 C48 -121.3(3) . . . . ?
Ga2 Ga1 N6 C48 119.4(3) . . . . ?
Ga4 Ga1 N6 C48 179.8(3) . . . . ?
C1 Ga1 N6 Ga2 -129.27(16) . . . . ?
N5 Ga1 N6 Ga2 15.90(13) . . . . ?
N7 Ga1 N6 Ga2 104.33(13) . . . . ?
Ga3 Ga1 N6 Ga2 119.30(16) . . . . ?
Ga4 Ga1 N6 Ga2 60.35(10) . . . . ?
C1 Ga1 N6 Ga3 111.43(17) . . . . ?
N5 Ga1 N6 Ga3 -103.40(13) . . . . ?
N7 Ga1 N6 Ga3 -14.97(13) . . . . ?
Ga2 Ga1 N6 Ga3 -119.30(16) . . . . ?
Ga4 Ga1 N6 Ga3 -58.95(10) . . . . ?
N4 Ga4 N7 C49 -108.4(3) . . . . ?
C19 Ga4 N7 C49 27.5(3) . . . . ?
N5 Ga4 N7 C49 138.3(3) . . . . ?
Ga1 Ga4 N7 C49 123.8(3) . . . . ?
N4 Ga4 N7 Ga3 39.2(2) . . . . ?
C19 Ga4 N7 Ga3 175.11(18) . . . . ?
N5 Ga4 N7 Ga3 -74.07(18) . . . . ?
Ga1 Ga4 N7 Ga3 -88.64(18) . . . . ?
N4 Ga4 N7 Ga1 127.81(13) . . . . ?
C19 Ga4 N7 Ga1 -96.26(17) . . . . ?
N5 Ga4 N7 Ga1 14.56(13) . . . . ?
N3 Ga3 N7 C49 107.8(3) . . . . ?
C13 Ga3 N7 C49 -21.5(3) . . . . ?
N6 Ga3 N7 C49 -139.3(3) . . . . ?
Ga1 Ga3 N7 C49 -124.3(3) . . . . ?
N3 Ga3 N7 Ga4 -38.8(2) . . . . ?
C13 Ga3 N7 Ga4 -168.13(17) . . . . ?
N6 Ga3 N7 Ga4 74.07(19) . . . . ?
Ga1 Ga3 N7 Ga4 89.16(18) . . . . ?
N3 Ga3 N7 Ga1 -127.93(12) . . . . ?
C13 Ga3 N7 Ga1 102.71(16) . . . . ?
N6 Ga3 N7 Ga1 -15.09(13) . . . . ?
C1 Ga1 N7 C49 8.1(4) . . . . ?
N5 Ga1 N7 C49 -133.7(3) . . . . ?
N6 Ga1 N7 C49 137.4(3) . . . . ?
Ga3 Ga1 N7 C49 122.3(3) . . . . ?
Ga2 Ga1 N7 C49 -178.6(3) . . . . ?
Ga4 Ga1 N7 C49 -119.1(3) . . . . ?
C1 Ga1 N7 Ga4 127.23(16) . . . . ?
N5 Ga1 N7 Ga4 -14.61(13) . . . . ?
N6 Ga1 N7 Ga4 -103.52(13) . . . . ?
Ga3 Ga1 N7 Ga4 -118.55(16) . . . . ?
Ga2 Ga1 N7 Ga4 -59.43(11) . . . . ?
C1 Ga1 N7 Ga3 -114.22(17) . . . . ?
N5 Ga1 N7 Ga3 103.94(13) . . . . ?
N6 Ga1 N7 Ga3 15.03(13) . . . . ?
Ga2 Ga1 N7 Ga3 59.12(10) . . . . ?
Ga4 Ga1 N7 Ga3 118.55(16) . . . . ?
N5 Ga1 C1 C6 11.6(5) . . . . ?
N7 Ga1 C1 C6 -109.3(4) . . . . ?
N6 Ga1 C1 C6 139.2(4) . . . . ?
Ga3 Ga1 C1 C6 -164.1(3) . . . . ?
Ga2 Ga1 C1 C6 80.9(4) . . . . ?
Ga4 Ga1 C1 C6 -54.7(5) . . . . ?
N5 Ga1 C1 C2 -172.4(3) . . . . ?
N7 Ga1 C1 C2 66.7(4) . . . . ?
N6 Ga1 C1 C2 -44.8(4) . . . . ?
Ga3 Ga1 C1 C2 12.0(4) . . . . ?
Ga2 Ga1 C1 C2 -103.1(3) . . . . ?
Ga4 Ga1 C1 C2 121.3(3) . . . . ?
C6 C1 C2 C3 0.4(7) . . . . ?
Ga1 C1 C2 C3 -175.9(4) . . . . ?
C1 C2 C3 C4 -0.2(7) . . . . ?
C2 C3 C4 C5 0.1(8) . . . . ?
C3 C4 C5 C6 -0.3(9) . . . . ?
C2 C1 C6 C5 -0.5(7) . . . . ?
Ga1 C1 C6 C5 175.5(4) . . . . ?
C4 C5 C6 C1 0.5(9) . . . . ?
N2 Ga2 C7 C12 -175.6(3) . . . . ?
N6 Ga2 C7 C12 -41.9(4) . . . . ?
N5 Ga2 C7 C12 55.6(4) . . . . ?
Ga1 Ga2 C7 C12 7.5(3) . . . . ?
N2 Ga2 C7 C8 8.9(4) . . . . ?
N6 Ga2 C7 C8 142.6(3) . . . . ?
N5 Ga2 C7 C8 -119.8(4) . . . . ?
Ga1 Ga2 C7 C8 -168.0(3) . . . . ?
C12 C7 C8 C9 -0.1(6) . . . . ?
Ga2 C7 C8 C9 175.5(3) . . . . ?
C7 C8 C9 C10 -0.6(7) . . . . ?
C8 C9 C10 C11 0.7(7) . . . . ?
C9 C10 C11 C12 -0.1(7) . . . . ?
C8 C7 C12 C11 0.6(6) . . . . ?
Ga2 C7 C12 C11 -175.3(3) . . . . ?
C10 C11 C12 C7 -0.5(7) . . . . ?
N3 Ga3 C13 C14 -108.7(4) . . . . ?
N7 Ga3 C13 C14 21.4(4) . . . . ?
N6 Ga3 C13 C14 125.0(4) . . . . ?
Ga1 Ga3 C13 C14 73.6(4) . . . . ?
N3 Ga3 C13 C18 68.4(4) . . . . ?
N7 Ga3 C13 C18 -161.5(3) . . . . ?
N6 Ga3 C13 C18 -57.9(4) . . . . ?
Ga1 Ga3 C13 C18 -109.3(3) . . . . ?
C18 C13 C14 C15 1.1(7) . . . . ?
Ga3 C13 C14 C15 178.3(4) . . . . ?
C13 C14 C15 C16 -0.4(8) . . . . ?
C14 C15 C16 C17 -0.7(8) . . . . ?
C15 C16 C17 C18 0.8(7) . . . . ?
C16 C17 C18 C13 0.0(7) . . . . ?
C14 C13 C18 C17 -0.9(6) . . . . ?
Ga3 C13 C18 C17 -178.3(3) . . . . ?
N4 Ga4 C19 C24 -166.0(3) . . . . ?
N7 Ga4 C19 C24 61.5(4) . . . . ?
N5 Ga4 C19 C24 -35.2(4) . . . . ?
Ga1 Ga4 C19 C24 13.0(4) . . . . ?
N4 Ga4 C19 C20 15.3(5) . . . . ?
N7 Ga4 C19 C20 -117.3(4) . . . . ?
N5 Ga4 C19 C20 146.1(4) . . . . ?
Ga1 Ga4 C19 C20 -165.8(4) . . . . ?
C24 C19 C20 C21 1.9(7) . . . . ?
Ga4 C19 C20 C21 -179.3(4) . . . . ?
C19 C20 C21 C22 -0.7(8) . . . . ?
C20 C21 C22 C23 -1.0(9) . . . . ?
C21 C22 C23 C24 1.3(8) . . . . ?
C22 C23 C24 C19 0.1(8) . . . . ?
C20 C19 C24 C23 -1.6(7) . . . . ?
Ga4 C19 C24 C23 179.5(4) . . . . ?
N3 Ga5 C25 C30 58.8(4) . . . . ?
N2 Ga5 C25 C30 -167.7(3) . . . . ?
N1 Ga5 C25 C30 -53.0(4) . . . . ?
Ga7 Ga5 C25 C30 12.0(5) . . . . ?
Ga6 Ga5 C25 C30 -118.3(3) . . . . ?
N3 Ga5 C25 C26 -116.5(4) . . . . ?
N2 Ga5 C25 C26 16.9(4) . . . . ?
N1 Ga5 C25 C26 131.7(3) . . . . ?
Ga7 Ga5 C25 C26 -163.3(3) . . . . ?
Ga6 Ga5 C25 C26 66.4(5) . . . . ?
C30 C25 C26 C27 2.4(7) . . . . ?
Ga5 C25 C26 C27 177.9(4) . . . . ?
C25 C26 C27 C28 -1.5(8) . . . . ?
C26 C27 C28 C29 -0.8(8) . . . . ?
C27 C28 C29 C30 2.1(8) . . . . ?
C28 C29 C30 C25 -1.2(8) . . . . ?
C26 C25 C30 C29 -1.1(7) . . . . ?
Ga5 C25 C30 C29 -176.6(4) . . . . ?
N4 Ga6 C31 C32 -146.3(4) . . . . ?
N1 Ga6 C31 C32 -31.7(5) . . . . ?
N2 Ga6 C31 C32 80.9(4) . . . . ?
Ga7 Ga6 C31 C32 -101.1(4) . . . . ?
Ga5 Ga6 C31 C32 36.8(5) . . . . ?
N4 Ga6 C31 C36 38.6(4) . . . . ?
N1 Ga6 C31 C36 153.1(3) . . . . ?
N2 Ga6 C31 C36 -94.2(3) . . . . ?
Ga7 Ga6 C31 C36 83.8(4) . . . . ?
Ga5 Ga6 C31 C36 -138.4(3) . . . . ?
C36 C31 C32 C33 -0.7(7) . . . . ?
Ga6 C31 C32 C33 -175.9(4) . . . . ?
C31 C32 C33 C34 1.1(8) . . . . ?
C32 C33 C34 C35 -0.6(8) . . . . ?
C33 C34 C35 C36 -0.2(7) . . . . ?
C34 C35 C36 C31 0.5(7) . . . . ?
C32 C31 C36 C35 -0.1(6) . . . . ?
Ga6 C31 C36 C35 175.4(3) . . . . ?
N3 Ga7 C37 C42 -118.2(4) . . . . ?
N4 Ga7 C37 C42 107.2(4) . . . . ?
N1 Ga7 C37 C42 -7.1(4) . . . . ?
Ga6 Ga7 C37 C42 55.0(5) . . . . ?
Ga5 Ga7 C37 C42 -68.7(4) . . . . ?
N3 Ga7 C37 C38 60.1(4) . . . . ?
N4 Ga7 C37 C38 -74.5(4) . . . . ?
N1 Ga7 C37 C38 171.2(3) . . . . ?
Ga6 Ga7 C37 C38 -126.7(3) . . . . ?
Ga5 Ga7 C37 C38 109.6(3) . . . . ?
C42 C37 C38 C39 -0.7(7) . . . . ?
Ga7 C37 C38 C39 -179.0(4) . . . . ?
C37 C38 C39 C40 -0.3(7) . . . . ?
C38 C39 C40 C41 -0.1(7) . . . . ?
C39 C40 C41 C42 1.4(7) . . . . ?
C38 C37 C42 C41 2.0(7) . . . . ?
Ga7 C37 C42 C41 -179.7(4) . . . . ?
C40 C41 C42 C37 -2.4(7) . . . . ?
C56 C51 C52 C53 0(2) . . . . ?
C50 C51 C52 C53 180.0(13) . . . . ?
C51 C52 C53 C54 -2(2) . . . . ?
C52 C53 C54 C55 3(2) . . . . ?
C53 C54 C55 C56 -2(2) . . . . ?
C52 C51 C56 C55 1(2) . . . . ?
C50 C51 C56 C55 -179.2(13) . . . . ?
C54 C55 C56 C51 0(3) . . . . ?
C56D C51D C52D C53D 1(3) . . . . ?
C50D C51D C52D C53D -180(2) . . . . ?
C51D C52D C53D C54D 1(4) . . . . ?
C52D C53D C54D C55D -3(4) . . . . ?
C53D C54D C55D C56D 3(4) . . . . ?
C52D C51D C56D C55D -1(4) . . . . ?
C50D C51D C56D C55D 180(3) . . . . ?
C54D C55D C56D C51D -1(5) . . . . ?
C63 C58 C59 C60 1(4) . . . . ?
C57 C58 C59 C60 -179.5(19) . . . . ?
C58 C59 C60 C61 0(3) . . . . ?
C59 C60 C61 C62 0(3) . . . . ?
C60 C61 C62 C63 -1(3) . . . . ?
C61 C62 C63 C58 2(3) . . . . ?
C59 C58 C63 C62 -2(4) . . . . ?
C57 C58 C63 C62 178.9(19) . . . . ?
