#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:53:29 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179768 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/64/7006499.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_7006499
loop_
_publ_author_name
'Baker, Robert J.'
'Jones, Cameron'
'Mills, David P.'
'Murphy, Damien M.'
'Hey-Hawkins, Evamarie'
'Wolf, Robert'
_publ_section_title
;
 The reactivity of gallium-(I), -(II) and -(III) heterocycles towards
 Group 15 substrates: attempts to prepare gallium-terminal pnictinidene
 complexes.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              64
_journal_page_last               72
_journal_paper_doi               10.1039/b511451a
_journal_year                    2006
_chemical_formula_sum            'C58 H90 Ga2 N6 Si2'
_chemical_formula_weight         1066.98
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.34(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.592(3)
_cell_length_b                   21.742(4)
_cell_length_c                   17.818(4)
_cell_measurement_temperature    150(2)
_cell_volume                     5901(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_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  0.0837
_diffrn_reflns_av_sigmaI/netI    0.0762
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            47327
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    0.994
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.838
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            blue-green
_exptl_crystal_density_diffrn    1.201
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2280
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.774
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       0.00171(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    'calculated (riding model)'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     636
_refine_ls_number_reflns         10395
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0856
_refine_ls_R_factor_gt           0.0516
_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)+(0.0395P)²+3.6071P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1128
_reflns_number_gt                7409
_reflns_number_total             10395
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b511451a.txt
_cod_data_source_block           compound5
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7006499
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.31081(2) 0.472087(15) 0.80555(2) 0.01975(11) Uani 1 1 d . . .
Ga2 Ga 0.18654(2) 0.525065(15) 0.70034(2) 0.02051(12) Uani 1 1 d . . .
Si1 Si 0.19551(6) 0.37411(4) 0.68192(6) 0.0276(2) Uani 1 1 d . . .
Si2 Si 0.26976(6) 0.61527(4) 0.84917(6) 0.0281(2) Uani 1 1 d . . .
N1 N 0.23242(16) 0.44435(11) 0.71748(15) 0.0218(6) Uani 1 1 d . . .
N2 N 0.26152(16) 0.55226(11) 0.79102(15) 0.0223(6) Uani 1 1 d . . .
N3 N 0.44293(16) 0.47119(11) 0.82307(16) 0.0216(6) Uani 1 1 d . . .
N4 N 0.33215(16) 0.42768(11) 0.90689(15) 0.0222(6) Uani 1 1 d . . .
N5 N 0.05704(16) 0.54139(11) 0.67375(16) 0.0229(6) Uani 1 1 d . . .
N6 N 0.18167(16) 0.55527(12) 0.59168(16) 0.0242(6) Uani 1 1 d . . .
C1 C 0.4744(2) 0.45563(13) 0.8959(2) 0.0234(8) Uani 1 1 d . . .
H1 H 0.5351 0.4604 0.9181 0.028 Uiso 1 1 calc R . .
C2 C 0.4175(2) 0.43231(14) 0.93942(19) 0.0233(8) Uani 1 1 d . . .
H2 H 0.4389 0.4199 0.9912 0.028 Uiso 1 1 calc R . .
C3 C 0.5084(2) 0.47752(14) 0.77654(19) 0.0243(8) Uani 1 1 d . . .
C4 C 0.5320(2) 0.53513(15) 0.7526(2) 0.0284(8) Uani 1 1 d . . .
C5 C 0.6020(2) 0.53812(17) 0.7152(2) 0.0376(9) Uani 1 1 d . . .
H5 H 0.6188 0.5770 0.6988 0.045 Uiso 1 1 calc R . .
C6 C 0.6472(2) 0.48655(18) 0.7015(2) 0.0419(10) Uani 1 1 d . . .
H6 H 0.6960 0.4900 0.6776 0.050 Uiso 1 1 calc R . .
C7 C 0.6210(2) 0.42990(17) 0.7227(2) 0.0362(9) Uani 1 1 d . . .
H7 H 0.6513 0.3941 0.7121 0.043 Uiso 1 1 calc R . .
C8 C 0.5511(2) 0.42362(15) 0.7596(2) 0.0279(8) Uani 1 1 d . . .
C9 C 0.4872(2) 0.59453(14) 0.7673(2) 0.0314(9) Uani 1 1 d . . .
H9 H 0.4358 0.5840 0.7903 0.038 Uiso 1 1 calc R . .
C10 C 0.5504(3) 0.63482(16) 0.8248(2) 0.0432(10) Uani 1 1 d . . .
H10A H 0.5756 0.6105 0.8706 0.065 Uiso 1 1 calc R . .
H10B H 0.5183 0.6700 0.8396 0.065 Uiso 1 1 calc R . .
H10C H 0.5976 0.6497 0.8010 0.065 Uiso 1 1 calc R . .
C11 C 0.4534(2) 0.62974(16) 0.6926(2) 0.0419(10) Uani 1 1 d . . .
H11A H 0.5026 0.6389 0.6681 0.063 Uiso 1 1 calc R . .
H11B H 0.4261 0.6683 0.7039 0.063 Uiso 1 1 calc R . .
H11C H 0.4100 0.6046 0.6579 0.063 Uiso 1 1 calc R . .
C12 C 0.5247(2) 0.35902(15) 0.7787(2) 0.0325(9) Uani 1 1 d . . .
H12 H 0.4650 0.3614 0.7908 0.039 Uiso 1 1 calc R . .
C13 C 0.5882(3) 0.33356(17) 0.8495(2) 0.0476(11) Uani 1 1 d . . .
H13A H 0.6480 0.3334 0.8402 0.071 Uiso 1 1 calc R . .
H13B H 0.5711 0.2915 0.8594 0.071 Uiso 1 1 calc R . .
H13C H 0.5863 0.3595 0.8941 0.071 Uiso 1 1 calc R . .
C14 C 0.5199(2) 0.31433(16) 0.7118(2) 0.0405(10) Uani 1 1 d . . .
H14A H 0.4851 0.3327 0.6648 0.061 Uiso 1 1 calc R . .
H14B H 0.4922 0.2759 0.7230 0.061 Uiso 1 1 calc R . .
H14C H 0.5794 0.3057 0.7047 0.061 Uiso 1 1 calc R . .
C15 C 0.2793(2) 0.38637(14) 0.94208(19) 0.0256(8) Uani 1 1 d . . .
C16 C 0.2971(2) 0.32226(15) 0.9432(2) 0.0307(8) Uani 1 1 d . . .
C17 C 0.2439(2) 0.28399(16) 0.9765(2) 0.0387(9) Uani 1 1 d . . .
H17 H 0.2554 0.2410 0.9787 0.046 Uiso 1 1 calc R . .
C18 C 0.1762(3) 0.30581(17) 1.0061(2) 0.0429(10) Uani 1 1 d . . .
H18 H 0.1400 0.2782 1.0267 0.051 Uiso 1 1 calc R . .
C19 C 0.1604(2) 0.36849(17) 1.0059(2) 0.0397(10) Uani 1 1 d . . .
H19 H 0.1134 0.3836 1.0270 0.048 Uiso 1 1 calc R . .
C20 C 0.2120(2) 0.40981(15) 0.9754(2) 0.0283(8) Uani 1 1 d . . .
C21 C 0.3711(2) 0.29322(15) 0.9122(2) 0.0358(9) Uani 1 1 d . . .
H21 H 0.3969 0.3256 0.8838 0.043 Uiso 1 1 calc R . .
C22 C 0.3401(3) 0.23990(17) 0.8563(3) 0.0535(12) Uani 1 1 d . . .
H22A H 0.3195 0.2059 0.8841 0.080 Uiso 1 1 calc R . .
H22B H 0.3890 0.2257 0.8342 0.080 Uiso 1 1 calc R . .
H22C H 0.2920 0.2540 0.8151 0.080 Uiso 1 1 calc R . .
C23 C 0.4434(3) 0.27023(18) 0.9782(3) 0.0506(11) Uani 1 1 d . . .
H23A H 0.4185 0.2408 1.0094 0.076 Uiso 1 1 calc R . .
H23B H 0.4686 0.3051 1.0103 0.076 Uiso 1 1 calc R . .
H23C H 0.4894 0.2500 0.9573 0.076 Uiso 1 1 calc R . .
C24 C 0.2029(2) 0.47874(15) 0.9862(2) 0.0317(9) Uani 1 1 d . . .
H24 H 0.2163 0.5002 0.9403 0.038 Uiso 1 1 calc R . .
C25 C 0.2711(2) 0.49868(17) 1.0572(2) 0.0399(10) Uani 1 1 d . . .
H25A H 0.2590 0.4781 1.1028 0.060 Uiso 1 1 calc R . .
H25B H 0.2679 0.5433 1.0636 0.060 Uiso 1 1 calc R . .
H25C H 0.3299 0.4874 1.0507 0.060 Uiso 1 1 calc R . .
C26 C 0.1111(2) 0.49845(19) 0.9948(3) 0.0496(11) Uani 1 1 d . . .
H26A H 0.0678 0.4864 0.9488 0.074 Uiso 1 1 calc R . .
H26B H 0.1098 0.5432 1.0012 0.074 Uiso 1 1 calc R . .
H26C H 0.0972 0.4783 1.0400 0.074 Uiso 1 1 calc R . .
C27 C 0.0324(2) 0.54962(14) 0.5982(2) 0.0252(8) Uani 1 1 d . . .
H27 H -0.0280 0.5509 0.5738 0.030 Uiso 1 1 calc R . .
C28 C 0.0978(2) 0.55644(14) 0.5553(2) 0.0255(8) Uani 1 1 d . . .
H28 H 0.0823 0.5618 0.5012 0.031 Uiso 1 1 calc R . .
C29 C -0.0073(2) 0.55707(15) 0.7184(2) 0.0257(8) Uani 1 1 d . . .
C30 C -0.0525(2) 0.51119(15) 0.7502(2) 0.0308(8) Uani 1 1 d . . .
C31 C -0.1183(2) 0.52958(17) 0.7866(2) 0.0428(10) Uani 1 1 d . . .
H31 H -0.1499 0.4992 0.8078 0.051 Uiso 1 1 calc R . .
C32 C -0.1393(3) 0.59075(18) 0.7930(3) 0.0497(11) Uani 1 1 d . . .
H32 H -0.1850 0.6022 0.8179 0.060 Uiso 1 1 calc R . .
C33 C -0.0938(2) 0.63438(17) 0.7634(2) 0.0461(11) Uani 1 1 d . . .
H33 H -0.1079 0.6764 0.7688 0.055 Uiso 1 1 calc R . .
C34 C -0.0274(2) 0.61981(16) 0.7253(2) 0.0349(9) Uani 1 1 d . . .
C35 C -0.0350(2) 0.44288(15) 0.7415(2) 0.0340(9) Uani 1 1 d . . .
H35 H 0.0230 0.4384 0.7266 0.041 Uiso 1 1 calc R . .
C36 C -0.1048(3) 0.4162(2) 0.6782(3) 0.0696(15) Uani 1 1 d . . .
H36A H -0.0904 0.3733 0.6693 0.104 Uiso 1 1 calc R . .
H36B H -0.1078 0.4400 0.6310 0.104 Uiso 1 1 calc R . .
H36C H -0.1617 0.4179 0.6931 0.104 Uiso 1 1 calc R . .
C37 C -0.0309(4) 0.40791(19) 0.8157(3) 0.0753(16) Uani 1 1 d . . .
H37A H 0.0161 0.4249 0.8558 0.113 Uiso 1 1 calc R . .
H37B H -0.0190 0.3644 0.8078 0.113 Uiso 1 1 calc R . .
H37C H -0.0871 0.4118 0.8314 0.113 Uiso 1 1 calc R . .
C38 C 0.0187(2) 0.67149(15) 0.6921(2) 0.0402(10) Uani 1 1 d . . .
H38 H 0.0717 0.6538 0.6768 0.048 Uiso 1 1 calc R . .
C39 C 0.0490(2) 0.72360(16) 0.7486(3) 0.0504(12) Uani 1 1 d . . .
H39A H -0.0023 0.7445 0.7602 0.076 Uiso 1 1 calc R . .
H39B H 0.0838 0.7530 0.7259 0.076 Uiso 1 1 calc R . .
H39C H 0.0850 0.7068 0.7961 0.076 Uiso 1 1 calc R . .
C40 C -0.0412(3) 0.69743(18) 0.6204(3) 0.0600(13) Uani 1 1 d . . .
H40A H -0.0549 0.6651 0.5813 0.090 Uiso 1 1 calc R . .
H40B H -0.0116 0.7316 0.6005 0.090 Uiso 1 1 calc R . .
H40C H -0.0957 0.7123 0.6332 0.090 Uiso 1 1 calc R . .
C41 C 0.2449(2) 0.57925(15) 0.54980(19) 0.0272(8) Uani 1 1 d . . .
C42 C 0.2424(2) 0.64277(16) 0.5323(2) 0.0329(9) Uani 1 1 d . . .
C43 C 0.3042(3) 0.66514(18) 0.4929(2) 0.0447(10) Uani 1 1 d . . .
H43 H 0.3035 0.7076 0.4804 0.054 Uiso 1 1 calc R . .
C44 C 0.3655(3) 0.6283(2) 0.4718(3) 0.0548(12) Uani 1 1 d . . .
H44 H 0.4073 0.6450 0.4458 0.066 Uiso 1 1 calc R . .
C45 C 0.3664(2) 0.56606(19) 0.4887(2) 0.0431(10) Uani 1 1 d . . .
H45 H 0.4083 0.5402 0.4729 0.052 Uiso 1 1 calc R . .
C46 C 0.3068(2) 0.54055(16) 0.5284(2) 0.0325(9) Uani 1 1 d . . .
C47 C 0.1755(2) 0.68775(15) 0.5517(2) 0.0367(9) Uani 1 1 d . . .
H47 H 0.1436 0.6668 0.5875 0.044 Uiso 1 1 calc R . .
C48 C 0.2191(3) 0.74614(17) 0.5917(2) 0.0486(11) Uani 1 1 d . . .
H48A H 0.2661 0.7344 0.6353 0.073 Uiso 1 1 calc R . .
H48B H 0.1751 0.7706 0.6103 0.073 Uiso 1 1 calc R . .
H48C H 0.2438 0.7705 0.5552 0.073 Uiso 1 1 calc R . .
C49 C 0.1082(3) 0.70641(17) 0.4798(3) 0.0498(11) Uani 1 1 d . . .
H49A H 0.1383 0.7258 0.4430 0.075 Uiso 1 1 calc R . .
H49B H 0.0663 0.7355 0.4938 0.075 Uiso 1 1 calc R . .
H49C H 0.0767 0.6698 0.4564 0.075 Uiso 1 1 calc R . .
C50 C 0.3072(2) 0.47101(16) 0.5407(2) 0.0347(9) Uani 1 1 d . . .
H50 H 0.2773 0.4621 0.5839 0.042 Uiso 1 1 calc R . .
C51 C 0.4003(3) 0.4450(2) 0.5619(3) 0.0640(14) Uani 1 1 d . . .
H51A H 0.4289 0.4499 0.5183 0.096 Uiso 1 1 calc R . .
H51B H 0.3977 0.4012 0.5743 0.096 Uiso 1 1 calc R . .
H51C H 0.4339 0.4671 0.6065 0.096 Uiso 1 1 calc R . .
C52 C 0.2553(3) 0.43966(19) 0.4683(2) 0.0542(12) Uani 1 1 d . . .
H52A H 0.1968 0.4583 0.4539 0.081 Uiso 1 1 calc R . .
H52B H 0.2494 0.3957 0.4784 0.081 Uiso 1 1 calc R . .
H52C H 0.2862 0.4449 0.4263 0.081 Uiso 1 1 calc R . .
C53 C 0.2846(2) 0.32442(16) 0.6592(2) 0.0397(10) Uani 1 1 d . . .
H53A H 0.3059 0.3422 0.6160 0.060 Uiso 1 1 calc R . .
H53B H 0.2615 0.2831 0.6455 0.060 Uiso 1 1 calc R . .
H53C H 0.3332 0.3220 0.7042 0.060 Uiso 1 1 calc R . .
C54 C 0.1437(2) 0.32790(15) 0.7493(3) 0.0445(11) Uani 1 1 d . . .
H54A H 0.1795 0.3312 0.8015 0.067 Uiso 1 1 calc R . .
H54B H 0.1400 0.2847 0.7333 0.067 Uiso 1 1 calc R . .
H54C H 0.0846 0.3437 0.7484 0.067 Uiso 1 1 calc R . .
C55 C 0.1095(2) 0.38439(17) 0.5916(2) 0.0413(10) Uani 1 1 d . . .
H55A H 0.0591 0.4063 0.6034 0.062 Uiso 1 1 calc R . .
H55B H 0.0905 0.3440 0.5698 0.062 Uiso 1 1 calc R . .
H55C H 0.1339 0.4082 0.5544 0.062 Uiso 1 1 calc R . .
C56 C 0.3680(2) 0.60716(16) 0.9299(2) 0.0408(10) Uani 1 1 d . . .
H56A H 0.3609 0.5708 0.9606 0.061 Uiso 1 1 calc R . .
H56B H 0.3736 0.6439 0.9624 0.061 Uiso 1 1 calc R . .
H56C H 0.4208 0.6025 0.9089 0.061 Uiso 1 1 calc R . .
C57 C 0.2828(3) 0.68826(15) 0.7971(2) 0.0428(10) Uani 1 1 d . . .
H57A H 0.3396 0.6880 0.7818 0.064 Uiso 1 1 calc R . .
H57B H 0.2804 0.7234 0.8310 0.064 Uiso 1 1 calc R . .
H57C H 0.2354 0.6916 0.7513 0.064 Uiso 1 1 calc R . .
C58 C 0.1746(3) 0.62661(16) 0.8960(2) 0.0453(11) Uani 1 1 d . . .
H58A H 0.1202 0.6153 0.8600 0.068 Uiso 1 1 calc R . .
H58B H 0.1717 0.6698 0.9108 0.068 Uiso 1 1 calc R . .
H58C H 0.1820 0.6006 0.9419 0.068 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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 N2 90.50(11) . . ?
N1 Ga1 N4 123.45(11) . . ?
N2 Ga1 N4 123.17(11) . . ?
N1 Ga1 N3 126.11(11) . . ?
N2 Ga1 N3 113.58(10) . . ?
N4 Ga1 N3 83.62(11) . . ?
N2 Ga2 N1 90.50(11) . . ?
N2 Ga2 N5 123.95(11) . . ?
N1 Ga2 N5 121.91(10) . . ?
N2 Ga2 N6 127.50(11) . . ?
N1 Ga2 N6 112.90(11) . . ?
N5 Ga2 N6 83.50(11) . . ?
N1 Si1 C53 112.95(15) . . ?
N1 Si1 C55 109.55(15) . . ?
C53 Si1 C55 108.13(18) . . ?
N1 Si1 C54 113.51(16) . . ?
C53 Si1 C54 105.69(17) . . ?
C55 Si1 C54 106.66(18) . . ?
N2 Si2 C58 114.43(16) . . ?
N2 Si2 C57 112.45(16) . . ?
C58 Si2 C57 106.92(17) . . ?
N2 Si2 C56 109.52(15) . . ?
C58 Si2 C56 105.45(19) . . ?
C57 Si2 C56 107.64(18) . . ?
Si1 N1 Ga1 135.09(15) . . ?
Si1 N1 Ga2 133.12(15) . . ?
Ga1 N1 Ga2 89.61(11) . . ?
Si2 N2 Ga2 136.75(15) . . ?
Si2 N2 Ga1 132.70(15) . . ?
Ga2 N2 Ga1 89.30(11) . . ?
C1 N3 C3 115.1(3) . . ?
C1 N3 Ga1 107.7(2) . . ?
C3 N3 Ga1 136.9(2) . . ?
C2 N4 C15 117.7(3) . . ?
C2 N4 Ga1 108.1(2) . . ?
C15 N4 Ga1 133.3(2) . . ?
C27 N5 C29 116.1(3) . . ?
C27 N5 Ga2 108.7(2) . . ?
C29 N5 Ga2 133.9(2) . . ?
C28 N6 C41 116.5(3) . . ?
C28 N6 Ga2 107.7(2) . . ?
C41 N6 Ga2 135.6(2) . . ?
N3 C1 C2 119.4(3) . . ?
N4 C2 C1 118.7(3) . . ?
C4 C3 C8 120.8(3) . . ?
C4 C3 N3 121.5(3) . . ?
C8 C3 N3 117.7(3) . . ?
C5 C4 C3 118.1(3) . . ?
C5 C4 C9 118.6(3) . . ?
C3 C4 C9 123.3(3) . . ?
C6 C5 C4 122.0(3) . . ?
C5 C6 C7 119.1(3) . . ?
C6 C7 C8 121.7(3) . . ?
C7 C8 C3 118.1(3) . . ?
C7 C8 C12 118.2(3) . . ?
C3 C8 C12 123.7(3) . . ?
C4 C9 C11 111.2(3) . . ?
C4 C9 C10 110.3(3) . . ?
C11 C9 C10 110.4(3) . . ?
C8 C12 C14 112.4(3) . . ?
C8 C12 C13 111.1(3) . . ?
C14 C12 C13 109.1(3) . . ?
C20 C15 C16 120.8(3) . . ?
C20 C15 N4 120.2(3) . . ?
C16 C15 N4 119.1(3) . . ?
C17 C16 C15 117.3(3) . . ?
C17 C16 C21 118.3(3) . . ?
C15 C16 C21 124.4(3) . . ?
C18 C17 C16 122.5(3) . . ?
C17 C18 C19 119.6(3) . . ?
C18 C19 C20 121.2(4) . . ?
C19 C20 C15 118.5(3) . . ?
C19 C20 C24 120.6(3) . . ?
C15 C20 C24 120.6(3) . . ?
C16 C21 C23 110.4(3) . . ?
C16 C21 C22 113.0(3) . . ?
C23 C21 C22 109.3(3) . . ?
C20 C24 C25 108.5(3) . . ?
C20 C24 C26 113.7(3) . . ?
C25 C24 C26 109.6(3) . . ?
N5 C27 C28 118.6(3) . . ?
N6 C28 C27 119.0(3) . . ?
C30 C29 C34 120.7(3) . . ?
C30 C29 N5 121.3(3) . . ?
C34 C29 N5 117.9(3) . . ?
C31 C30 C29 117.9(3) . . ?
C31 C30 C35 119.7(3) . . ?
C29 C30 C35 122.3(3) . . ?
C32 C31 C30 122.0(4) . . ?
C33 C32 C31 119.2(4) . . ?
C32 C33 C34 122.4(4) . . ?
C33 C34 C29 117.7(3) . . ?
C33 C34 C38 119.0(3) . . ?
C29 C34 C38 123.2(3) . . ?
C36 C35 C37 110.4(4) . . ?
C36 C35 C30 109.6(3) . . ?
C37 C35 C30 112.1(3) . . ?
C34 C38 C40 110.2(3) . . ?
C34 C38 C39 113.5(3) . . ?
C40 C38 C39 109.1(3) . . ?
C46 C41 C42 121.2(3) . . ?
C46 C41 N6 120.6(3) . . ?
C42 C41 N6 118.3(3) . . ?
C43 C42 C41 117.5(3) . . ?
C43 C42 C47 118.1(3) . . ?
C41 C42 C47 124.4(3) . . ?
C44 C43 C42 122.3(4) . . ?
C43 C44 C45 119.4(4) . . ?
C44 C45 C46 121.4(4) . . ?
C41 C46 C45 118.2(3) . . ?
C41 C46 C50 122.8(3) . . ?
C45 C46 C50 118.8(3) . . ?
C42 C47 C49 111.2(3) . . ?
C42 C47 C48 112.3(3) . . ?
C49 C47 C48 109.0(3) . . ?
C46 C50 C51 112.2(3) . . ?
C46 C50 C52 109.6(3) . . ?
C51 C50 C52 110.3(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 N1 1.871(3) . ?
Ga1 N2 1.900(2) . ?
Ga1 N4 2.012(3) . ?
Ga1 N3 2.017(2) . ?
Ga2 N2 1.876(3) . ?
Ga2 N1 1.895(2) . ?
Ga2 N5 2.005(3) . ?
Ga2 N6 2.030(3) . ?
Si1 N1 1.706(3) . ?
Si1 C53 1.871(3) . ?
Si1 C55 1.875(4) . ?
Si1 C54 1.876(4) . ?
Si2 N2 1.706(3) . ?
Si2 C58 1.868(4) . ?
Si2 C57 1.871(4) . ?
Si2 C56 1.872(4) . ?
N3 C1 1.330(4) . ?
N3 C3 1.453(4) . ?
N4 C2 1.337(4) . ?
N4 C15 1.449(4) . ?
N5 C27 1.330(4) . ?
N5 C29 1.448(4) . ?
N6 C28 1.329(4) . ?
N6 C41 1.454(4) . ?
C1 C2 1.392(4) . ?
C3 C4 1.398(4) . ?
C3 C8 1.412(4) . ?
C4 C5 1.396(5) . ?
C4 C9 1.518(5) . ?
C5 C6 1.374(5) . ?
C6 C7 1.377(5) . ?
C7 C8 1.394(5) . ?
C8 C12 1.523(5) . ?
C9 C11 1.529(5) . ?
C9 C10 1.535(5) . ?
C12 C14 1.528(5) . ?
C12 C13 1.531(5) . ?
C15 C20 1.406(5) . ?
C15 C16 1.421(4) . ?
C16 C17 1.394(5) . ?
C16 C21 1.518(5) . ?
C17 C18 1.363(5) . ?
C18 C19 1.385(5) . ?
C19 C20 1.392(5) . ?
C20 C24 1.522(5) . ?
C21 C23 1.529(5) . ?
C21 C22 1.537(5) . ?
C24 C25 1.532(5) . ?
C24 C26 1.533(4) . ?
C27 C28 1.407(5) . ?
C29 C30 1.408(5) . ?
C29 C34 1.411(5) . ?
C30 C31 1.385(5) . ?
C30 C35 1.524(5) . ?
C31 C32 1.380(5) . ?
C32 C33 1.357(5) . ?
C33 C34 1.389(5) . ?
C34 C38 1.520(5) . ?
C35 C36 1.507(5) . ?
C35 C37 1.514(6) . ?
C38 C40 1.521(6) . ?
C38 C39 1.522(5) . ?
C41 C46 1.393(5) . ?
C41 C42 1.415(5) . ?
C42 C43 1.396(5) . ?
C42 C47 1.522(5) . ?
C43 C44 1.360(6) . ?
C44 C45 1.385(6) . ?
C45 C46 1.398(5) . ?
C46 C50 1.527(5) . ?
C47 C49 1.528(5) . ?
C47 C48 1.541(5) . ?
C50 C51 1.528(5) . ?
C50 C52 1.529(5) . ?
