#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/63/7116343.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_7116343
loop_
_publ_author_name
'Yanxia Zhao'
'Yanyan Liu'
'Zeyi Wang'
'Wenhua Xu'
'Bin Liu'
'Ji-Hu Su'
'Biao Wu'
'Xiao-Juan Yang'
_publ_section_title
;
 Gallium complexes with alpha-diimine and phenazine in various reduced
 states
;
_journal_name_full               Chem.Commun.
_journal_page_first              1237
_journal_paper_doi               10.1039/C4cc04128C
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C68 H110 Cl2 Ga2 N4 Na2 O3'
_chemical_formula_weight         1287.92
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2008-08-06 deposited with the CCDC.
2014-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 106.309(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.583(3)
_cell_length_b                   14.5431(19)
_cell_length_c                   22.793(4)
_cell_measurement_temperature    293(2)
_cell_volume                     7184.6(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Bruker APEX II area detecotr'
_diffrn_measurement_method       'ω 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  0.1353
_diffrn_reflns_av_sigmaI/netI    0.2553
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            21503
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    0.880
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.191
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2752
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.768
_refine_diff_density_min         -1.226
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         8622
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.2534
_refine_ls_R_factor_gt           0.0991
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1570P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2567
_refine_ls_wR_factor_ref         0.3274
_reflns_number_gt                3082
_reflns_number_total             8622
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc04128c2.cif
_cod_data_source_block           LGa2Cl2Na2
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        7184.8(18)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7116343
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ga Ga 0.44349(4) 0.21716(5) 0.23201(4) 0.0356(3) Uani 1 1 d . .
Cl Cl 0.4332(3) 0.3473(5) 0.2547(3) 0.198(2) Uani 1 1 d . .
Na Na 0.4792(2) 0.4074(2) 0.17782(18) 0.0707(12) Uani 1 1 d . .
N1 N 0.3927(3) 0.2108(4) 0.1482(3) 0.0436(17) Uani 1 1 d . .
N2 N 0.3867(3) 0.1338(4) 0.2504(3) 0.0439(17) Uani 1 1 d . .
O1 O 0.5060(4) 0.5523(6) 0.1578(4) 0.099(3) Uani 1 1 d D .
C1 C 0.3080(5) 0.1165(8) 0.0801(4) 0.074(3) Uani 1 1 d . .
H1A H 0.2779 0.0716 0.0834 0.112 Uiso 1 1 calc R .
H1B H 0.3352 0.0900 0.0590 0.112 Uiso 1 1 calc R .
H1C H 0.2875 0.1687 0.0577 0.112 Uiso 1 1 calc R .
C2 C 0.3446(4) 0.1462(6) 0.1428(4) 0.053(2) Uani 1 1 d . .
C3 C 0.3430(4) 0.1055(6) 0.1951(4) 0.049(2) Uani 1 1 d . .
C4 C 0.3015(5) 0.0240(8) 0.1985(5) 0.081(4) Uani 1 1 d . .
H4A H 0.2746 0.0114 0.1586 0.122 Uiso 1 1 calc R .
H4B H 0.2773 0.0384 0.2259 0.122 Uiso 1 1 calc R .
H4C H 0.3265 -0.0291 0.2133 0.122 Uiso 1 1 calc R .
C5 C 0.3812(4) 0.2892(6) 0.1079(4) 0.046(2) Uani 1 1 d . .
C6 C 0.4227(4) 0.3060(6) 0.0723(4) 0.048(2) Uani 1 1 d . .
C7 C 0.4134(5) 0.3797(8) 0.0333(5) 0.073(3) Uani 1 1 d . .
H7A H 0.4412 0.3906 0.0108 0.088 Uiso 1 1 calc R .
C8 C 0.3630(6) 0.4391(7) 0.0264(5) 0.080(4) Uani 1 1 d . .
H8A H 0.3566 0.4880 -0.0010 0.096 Uiso 1 1 calc R .
C9 C 0.3234(5) 0.4231(7) 0.0609(5) 0.074(3) Uani 1 1 d . .
H9A H 0.2907 0.4635 0.0574 0.088 Uiso 1 1 calc R .
C10 C 0.3298(5) 0.3474(7) 0.1022(4) 0.059(3) Uani 1 1 d . .
C11 C 0.3792(4) 0.1065(6) 0.3074(4) 0.046(2) Uani 1 1 d . .
C12 C 0.4166(5) 0.0350(6) 0.3411(4) 0.056(2) Uani 1 1 d . .
C13 C 0.4087(5) 0.0123(7) 0.3967(5) 0.073(3) Uani 1 1 d . .
H13A H 0.4322 -0.0353 0.4188 0.087 Uiso 1 1 calc R .
C14 C 0.3681(5) 0.0561(8) 0.4208(5) 0.074(3) Uani 1 1 d . .
H14A H 0.3653 0.0393 0.4593 0.089 Uiso 1 1 calc R .
C15 C 0.3308(5) 0.1250(7) 0.3892(5) 0.066(3) Uani 1 1 d . .
H15A H 0.3025 0.1539 0.4059 0.079 Uiso 1 1 calc R .
C16 C 0.3357(4) 0.1507(6) 0.3330(5) 0.054(2) Uani 1 1 d . .
C17 C 0.4737(5) 0.2353(7) 0.0721(5) 0.065(3) Uani 1 1 d . .
H17A H 0.4833 0.2008 0.1105 0.078 Uiso 1 1 calc R .
C18 C 0.4528(6) 0.1689(9) 0.0202(6) 0.103(5) Uani 1 1 d . .
H18A H 0.4855 0.1265 0.0207 0.154 Uiso 1 1 calc R .
H18B H 0.4419 0.2020 -0.0178 0.154 Uiso 1 1 calc R .
H18C H 0.4174 0.1357 0.0244 0.154 Uiso 1 1 calc R .
C19 C 0.5331(6) 0.2844(10) 0.0677(7) 0.122(6) Uani 1 1 d . .
H19A H 0.5643 0.2394 0.0681 0.183 Uiso 1 1 calc R .
H19B H 0.5474 0.3251 0.1019 0.183 Uiso 1 1 calc R .
H19C H 0.5243 0.3191 0.0304 0.183 Uiso 1 1 calc R .
C20 C 0.2851(5) 0.3367(8) 0.1381(5) 0.072(3) Uani 1 1 d . .
H20A H 0.3007 0.2877 0.1679 0.086 Uiso 1 1 calc R .
C21 C 0.2810(6) 0.4258(9) 0.1751(5) 0.099(4) Uani 1 1 d . .
H21A H 0.3216 0.4429 0.1993 0.148 Uiso 1 1 calc R .
H21B H 0.2553 0.4145 0.2015 0.148 Uiso 1 1 calc R .
H21C H 0.2637 0.4748 0.1473 0.148 Uiso 1 1 calc R .
C22 C 0.2223(6) 0.3084(10) 0.1012(7) 0.107(5) Uani 1 1 d . .
H22A H 0.2252 0.2535 0.0787 0.160 Uiso 1 1 calc R .
H22B H 0.2041 0.3567 0.0732 0.160 Uiso 1 1 calc R .
H22C H 0.1969 0.2966 0.1279 0.160 Uiso 1 1 calc R .
C23 C 0.4602(5) -0.0200(6) 0.3135(5) 0.064(3) Uani 1 1 d . .
H23A H 0.4583 0.0059 0.2733 0.077 Uiso 1 1 calc R .
C24 C 0.4391(6) -0.1198(8) 0.3049(7) 0.110(5) Uani 1 1 d . .
H24A H 0.4658 -0.1538 0.2866 0.165 Uiso 1 1 calc R .
H24B H 0.3976 -0.1225 0.2787 0.165 Uiso 1 1 calc R .
H24C H 0.4406 -0.1462 0.3439 0.165 Uiso 1 1 calc R .
C25 C 0.5265(6) -0.0167(9) 0.3529(6) 0.097(4) Uani 1 1 d . .
H25A H 0.5402 0.0460 0.3581 0.145 Uiso 1 1 calc R .
H25B H 0.5522 -0.0508 0.3334 0.145 Uiso 1 1 calc R .
H25C H 0.5293 -0.0433 0.3921 0.145 Uiso 1 1 calc R .
C26 C 0.2947(5) 0.2247(8) 0.2974(6) 0.078(3) Uani 1 1 d . .
H26A H 0.3042 0.2330 0.2584 0.093 Uiso 1 1 calc R .
C27 C 0.2267(6) 0.1990(10) 0.2842(9) 0.146(7) Uani 1 1 d . .
H27A H 0.2193 0.1419 0.2622 0.218 Uiso 1 1 calc R .
H27B H 0.2017 0.2464 0.2601 0.218 Uiso 1 1 calc R .
H27C H 0.2163 0.1925 0.3221 0.218 Uiso 1 1 calc R .
C28 C 0.3069(6) 0.3172(8) 0.3332(6) 0.104(5) Uani 1 1 d . .
H28A H 0.3497 0.3334 0.3412 0.156 Uiso 1 1 calc R .
H28B H 0.2969 0.3106 0.3712 0.156 Uiso 1 1 calc R .
H28C H 0.2818 0.3646 0.3092 0.156 Uiso 1 1 calc R .
C29 C 0.5454(10) 0.579(2) 0.1237(11) 0.280(16) Uani 1 1 d D .
H29A H 0.5441 0.6458 0.1204 0.336 Uiso 1 1 calc R .
H29B H 0.5298 0.5546 0.0827 0.336 Uiso 1 1 calc R .
C30 C 0.6094(10) 0.5512(17) 0.1479(11) 0.208(11) Uiso 1 1 d D .
H30A H 0.6342 0.5824 0.1261 0.312 Uiso 1 1 calc R .
H30B H 0.6126 0.4860 0.1430 0.312 Uiso 1 1 calc R .
H30C H 0.6236 0.5666 0.1905 0.312 Uiso 1 1 calc R .
C31 C 0.4623(11) 0.6300(13) 0.1479(10) 0.179(9) Uani 1 1 d . .
H31A H 0.4830 0.6851 0.1675 0.215 Uiso 1 1 calc R .
H31B H 0.4455 0.6421 0.1046 0.215 Uiso 1 1 calc R .
C32 C 0.4156(9) 0.6048(19) 0.1735(11) 0.236(14) Uani 1 1 d . .
H32A H 0.3861 0.6537 0.1681 0.354 Uiso 1 1 calc R .
H32B H 0.4330 0.5929 0.2163 0.354 Uiso 1 1 calc R .
H32C H 0.3956 0.5503 0.1537 0.354 Uiso 1 1 calc R .
O2 O 0.2500 0.2500 0.5000 0.53(5) Uani 1 2 d S .
C33 C 0.189(2) 0.203(3) 0.4802(19) 0.143(17) Uani 0.50 1 d P 1
C33' C 0.260(3) 0.150(2) 0.525(2) 0.16(3) Uani 0.50 1 d P 2
C34 C 0.3263(18) 0.178(2) 0.5576(15) 0.245(17) Uani 1 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N2 Ga N1 86.4(3) . .
N2 Ga Cl 114.5(3) . .
N1 Ga Cl 102.8(3) . .
N2 Ga Ga 129.2(2) . 2_655
N1 Ga Ga 127.1(2) . 2_655
Cl Ga Ga 95.70(19) . 2_655
N2 Ga Na 153.0(2) . .
N1 Ga Na 78.8(2) . .
Cl Ga Na 49.0(2) . .
Ga Ga Na 77.26(8) 2_655 .
N2 Ga Na 128.1(2) . 2_655
N1 Ga Na 131.3(2) . 2_655
Cl Ga Na 36.25(19) . 2_655
Ga Ga Na 61.03(7) 2_655 2_655
Na Ga Na 54.86(13) . 2_655
Ga Cl Na 113.1(3) . 2_655
Ga Cl Na 92.9(3) . .
Na Cl Na 83.4(3) 2_655 .
O1 Na Cl 105.0(3) . 2_655
O1 Na Cl 131.9(4) . .
Cl Na Cl 81.0(3) 2_655 .
O1 Na C6 113.4(3) . .
Cl Na C6 118.0(3) 2_655 .
Cl Na C6 104.2(3) . .
O1 Na C5 130.1(3) . .
Cl Na C5 121.3(3) 2_655 .
Cl Na C5 76.6(3) . .
C6 Na C5 28.8(3) . .
O1 Na Na 101.0(3) . 2_655
Cl Na Na 50.0(2) 2_655 2_655
Cl Na Na 46.60(19) . 2_655
C6 Na Na 145.5(2) . 2_655
C5 Na Na 122.0(2) . 2_655
O1 Na Ga 169.0(3) . .
Cl Na Ga 71.30(18) 2_655 .
Cl Na Ga 38.13(16) . .
C6 Na Ga 76.98(19) . .
C5 Na Ga 57.82(18) . .
Na Na Ga 68.54(9) 2_655 .
O1 Na Ga 135.6(3) . 2_655
Cl Na Ga 30.67(17) 2_655 2_655
Cl Na Ga 63.19(17) . 2_655
C6 Na Ga 96.7(2) . 2_655
C5 Na Ga 91.78(19) . 2_655
Na Na Ga 56.60(7) 2_655 2_655
Ga Na Ga 41.71(5) . 2_655
C2 N1 C5 118.3(7) . .
C2 N1 Ga 110.1(5) . .
C5 N1 Ga 122.9(5) . .
C11 N2 C3 120.0(7) . .
C11 N2 Ga 130.3(6) . .
C3 N2 Ga 109.4(6) . .
C29 O1 C31 101.7(14) . .
C29 O1 Na 128.4(15) . .
C31 O1 Na 122.5(10) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 N1 115.4(8) . .
C3 C2 C1 125.1(9) . .
N1 C2 C1 118.5(8) . .
C2 C3 N2 118.3(8) . .
C2 C3 C4 124.0(8) . .
N2 C3 C4 117.5(8) . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C10 C5 C6 120.0(8) . .
C10 C5 N1 122.0(9) . .
C6 C5 N1 118.0(8) . .
C10 C5 Na 100.1(6) . .
C6 C5 Na 71.8(5) . .
N1 C5 Na 98.3(5) . .
C7 C6 C5 119.9(9) . .
C7 C6 C17 119.8(9) . .
C5 C6 C17 119.9(8) . .
C7 C6 Na 95.5(6) . .
C5 C6 Na 79.4(5) . .
C17 C6 Na 101.1(6) . .
C6 C7 C8 121.8(10) . .
C6 C7 H7A 119.1 . .
C8 C7 H7A 119.1 . .
C9 C8 C7 118.2(10) . .
C9 C8 H8A 120.9 . .
C7 C8 H8A 120.9 . .
C8 C9 C10 123.2(10) . .
C8 C9 H9A 118.4 . .
C10 C9 H9A 118.4 . .
C5 C10 C9 116.9(10) . .
C5 C10 C20 123.9(9) . .
C9 C10 C20 119.1(10) . .
N2 C11 C12 119.7(8) . .
N2 C11 C16 121.5(8) . .
C12 C11 C16 118.8(8) . .
C13 C12 C11 117.7(9) . .
C13 C12 C23 121.3(9) . .
C11 C12 C23 120.8(9) . .
C14 C13 C12 122.7(10) . .
C14 C13 H13A 118.6 . .
C12 C13 H13A 118.6 . .
C13 C14 C15 121.1(10) . .
C13 C14 H14A 119.4 . .
C15 C14 H14A 119.4 . .
C16 C15 C14 119.3(10) . .
C16 C15 H15A 120.4 . .
C14 C15 H15A 120.4 . .
C15 C16 C11 120.4(9) . .
C15 C16 C26 120.0(10) . .
C11 C16 C26 119.6(9) . .
C18 C17 C6 111.2(9) . .
C18 C17 C19 109.5(10) . .
C6 C17 C19 110.7(9) . .
C18 C17 H17A 108.5 . .
C6 C17 H17A 108.5 . .
C19 C17 H17A 108.5 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C10 C20 C22 114.1(10) . .
C10 C20 C21 111.4(10) . .
C22 C20 C21 110.1(10) . .
C10 C20 H20A 107.0 . .
C22 C20 H20A 107.0 . .
C21 C20 H20A 107.0 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C25 C23 C24 109.2(10) . .
C25 C23 C12 112.4(9) . .
C24 C23 C12 109.7(9) . .
C25 C23 H23A 108.5 . .
C24 C23 H23A 108.5 . .
C12 C23 H23A 108.5 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C16 C26 C27 111.4(10) . .
C16 C26 C28 110.2(10) . .
C27 C26 C28 109.7(10) . .
C16 C26 H26A 108.5 . .
C27 C26 H26A 108.5 . .
C28 C26 H26A 108.5 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
O1 C29 C30 115.6(18) . .
O1 C29 H29A 108.4 . .
C30 C29 H29A 108.4 . .
O1 C29 H29B 108.4 . .
C30 C29 H29B 108.4 . .
H29A C29 H29B 107.4 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C32 C31 O1 106.6(16) . .
C32 C31 H31A 110.4 . .
O1 C31 H31A 110.4 . .
C32 C31 H31B 110.4 . .
O1 C31 H31B 110.4 . .
H31A C31 H31B 108.6 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C33 O2 C33 180(2) . 7_556
C33 O2 C33' 73(3) . .
C33 O2 C33' 107(3) 7_556 .
C33 O2 C33' 107(3) . 7_556
C33 O2 C33' 73(3) 7_556 7_556
C33' O2 C33' 180(3) . 7_556
O2 C33 C34 76(2) . 7_556
C34 C33' O2 87.7(17) . .
C33' C34 C33 89(3) . 7_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ga N2 1.895(7) .
Ga N1 1.935(7) .
Ga Cl 1.993(7) .
Ga Ga 2.4517(18) 2_655
Ga Na 3.224(4) .
Ga Na 3.594(4) 2_655
Cl Na 2.310(8) 2_655
Cl Na 2.436(8) .
Na O1 2.273(9) .
Na Cl 2.310(8) 2_655
Na C6 2.804(9) .
Na C5 2.901(9) .
Na Na 3.158(8) 2_655
Na Ga 3.594(4) 2_655
N1 C2 1.415(10) .
N1 C5 1.441(10) .
N2 C11 1.415(10) .
N2 C3 1.425(10) .
O1 C29 1.394(10) .
O1 C31 1.47(2) .
C1 C2 1.501(12) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.340(12) .
C3 C4 1.527(12) .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C10 1.412(12) .
C5 C6 1.423(12) .
C6 C7 1.369(12) .
C6 C17 1.545(13) .
C7 C8 1.402(14) .
C7 H7A 0.9300 .
C8 C9 1.367(15) .
C8 H8A 0.9300 .
C9 C10 1.429(13) .
C9 H9A 0.9300 .
C10 C20 1.476(14) .
C11 C12 1.421(12) .
C11 C16 1.427(12) .
C12 C13 1.368(13) .
C12 C23 1.534(13) .
C13 C14 1.354(14) .
C13 H13A 0.9300 .
C14 C15 1.375(14) .
C14 H14A 0.9300 .
C15 C16 1.369(13) .
C15 H15A 0.9300 .
C16 C26 1.502(13) .
C17 C18 1.497(14) .
C17 C19 1.546(16) .
C17 H17A 0.9800 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 C22 1.490(15) .
C20 C21 1.563(15) .
C20 H20A 0.9800 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C25 1.516(15) .
C23 C24 1.523(14) .
C23 H23A 0.9800 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 C27 1.525(16) .
C26 C28 1.556(16) .
C26 H26A 0.9800 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 C30 1.453(10) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.39(2) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
O2 C33 1.48(4) .
O2 C33 1.48(4) 7_556
O2 C33' 1.55(5) .
O2 C33' 1.55(5) 7_556
C33 C34 1.93(6) 7_556
C33' C34 1.52(7) .
C34 C33 1.93(6) 7_556
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_4
N2 Ga Cl Na 121.6(3) . 2_655
N1 Ga Cl Na -146.5(3) . 2_655
Ga Ga Cl Na -16.4(3) 2_655 2_655
Na Ga Cl Na -84.0(3) . 2_655
N2 Ga Cl Na -154.4(3) . .
N1 Ga Cl Na -62.5(3) . .
Ga Ga Cl Na 67.64(19) 2_655 .
Na Ga Cl Na 84.0(3) 2_655 .
Ga Cl Na O1 -173.2(4) . .
Na Cl Na O1 -60.3(4) 2_655 .
Ga Cl Na Cl -71.1(2) . 2_655
Na Cl Na Cl 41.8(3) 2_655 2_655
Ga Cl Na C6 45.7(3) . .
Na Cl Na C6 158.6(3) 2_655 .
Ga Cl Na C5 54.3(2) . .
Na Cl Na C5 167.2(3) 2_655 .
Ga Cl Na Na -112.9(3) . 2_655
Na Cl Na Ga 112.9(3) 2_655 .
Ga Cl Na Ga -44.70(15) . 2_655
Na Cl Na Ga 68.22(17) 2_655 2_655
N2 Ga Na O1 87.9(17) . .
N1 Ga Na O1 145.8(16) . .
Cl Ga Na O1 27.7(16) . .
Ga Ga Na O1 -81.7(16) 2_655 .
Na Ga Na O1 -18.3(15) 2_655 .
N2 Ga Na Cl 159.6(5) . 2_655
N1 Ga Na Cl -142.4(3) . 2_655
Cl Ga Na Cl 99.4(3) . 2_655
Ga Ga Na Cl -9.9(2) 2_655 2_655
Na Ga Na Cl 53.4(2) 2_655 2_655
N2 Ga Na Cl 60.2(5) . .
N1 Ga Na Cl 118.1(3) . .
Ga Ga Na Cl -109.4(2) 2_655 .
Na Ga Na Cl -46.0(3) 2_655 .
N2 Ga Na C6 -74.4(5) . .
N1 Ga Na C6 -16.5(3) . .
Cl Ga Na C6 -134.6(3) . .
Ga Ga Na C6 116.0(2) 2_655 .
Na Ga Na C6 179.4(3) 2_655 .
N2 Ga Na C5 -50.8(5) . .
N1 Ga Na C5 7.1(3) . .
Cl Ga Na C5 -111.1(3) . .
Ga Ga Na C5 139.6(2) 2_655 .
Na Ga Na C5 -157.1(3) 2_655 .
N2 Ga Na Na 106.2(5) . 2_655
N1 Ga Na Na 164.1(3) . 2_655
Cl Ga Na Na 46.0(3) . 2_655
Ga Ga Na Na -63.38(13) 2_655 2_655
N2 Ga Na Ga 169.6(5) . 2_655
N1 Ga Na Ga -132.5(2) . 2_655
Cl Ga Na Ga 109.4(2) . 2_655
Na Ga Na Ga 63.38(13) 2_655 2_655
N2 Ga N1 C2 -4.0(6) . .
Cl Ga N1 C2 -118.3(6) . .
Ga Ga N1 C2 134.3(5) 2_655 .
Na Ga N1 C2 -161.4(6) . .
Na Ga N1 C2 -144.0(5) 2_655 .
N2 Ga N1 C5 142.9(7) . .
Cl Ga N1 C5 28.6(7) . .
Ga Ga N1 C5 -78.9(7) 2_655 .
Na Ga N1 C5 -14.5(6) . .
Na Ga N1 C5 2.8(8) 2_655 .
N1 Ga N2 C11 -167.5(8) . .
Cl Ga N2 C11 -65.1(8) . .
Ga Ga N2 C11 55.7(8) 2_655 .
Na Ga N2 C11 -111.1(7) . .
Na Ga N2 C11 -25.3(8) 2_655 .
N1 Ga N2 C3 5.5(6) . .
Cl Ga N2 C3 107.9(6) . .
Ga Ga N2 C3 -131.3(5) 2_655 .
Na Ga N2 C3 61.8(8) . .
Na Ga N2 C3 147.7(5) 2_655 .
Cl Na O1 C29 71.2(16) 2_655 .
Cl Na O1 C29 162.5(15) . .
C6 Na O1 C29 -59.1(16) . .
C5 Na O1 C29 -87.1(16) . .
Na Na O1 C29 122.5(15) 2_655 .
Ga Na O1 C29 139.8(18) . .
Ga Na O1 C29 69.5(16) 2_655 .
Cl Na O1 C31 -144.6(12) 2_655 .
Cl Na O1 C31 -53.3(13) . .
C6 Na O1 C31 85.2(12) . .
C5 Na O1 C31 57.2(13) . .
Na Na O1 C31 -93.3(12) 2_655 .
Ga Na O1 C31 -76(2) . .
Ga Na O1 C31 -146.2(11) 2_655 .
C5 N1 C2 C3 -147.1(8) . .
Ga N1 C2 C3 1.5(10) . .
C5 N1 C2 C1 43.9(12) . .
Ga N1 C2 C1 -167.5(7) . .
N1 C2 C3 N2 3.3(13) . .
C1 C2 C3 N2 171.5(9) . .
N1 C2 C3 C4 -170.5(9) . .
C1 C2 C3 C4 -2.3(16) . .
C11 N2 C3 C2 167.5(8) . .
Ga N2 C3 C2 -6.3(10) . .
C11 N2 C3 C4 -18.3(12) . .
Ga N2 C3 C4 167.8(7) . .
C2 N1 C5 C10 52.8(11) . .
Ga N1 C5 C10 -91.5(9) . .
C2 N1 C5 C6 -125.9(9) . .
Ga N1 C5 C6 89.7(8) . .
C2 N1 C5 Na 160.4(6) . .
Ga N1 C5 Na 16.0(7) . .
O1 Na C5 C10 -55.3(8) . .
Cl Na C5 C10 149.5(6) 2_655 .
Cl Na C5 C10 79.0(6) . .
C6 Na C5 C10 -118.4(8) . .
Na Na C5 C10 90.0(6) 2_655 .
Ga Na C5 C10 115.3(6) . .
Ga Na C5 C10 140.9(6) 2_655 .
O1 Na C5 C6 63.2(7) . .
Cl Na C5 C6 -92.0(6) 2_655 .
Cl Na C5 C6 -162.6(5) . .
Na Na C5 C6 -151.6(5) 2_655 .
Ga Na C5 C6 -126.2(5) . .
Ga Na C5 C6 -100.7(5) 2_655 .
O1 Na C5 N1 -180.0(6) . .
Cl Na C5 N1 24.8(7) 2_655 .
Cl Na C5 N1 -45.7(5) . .
C6 Na C5 N1 116.8(8) . .
Na Na C5 N1 -34.8(6) 2_655 .
Ga Na C5 N1 -9.4(4) . .
Ga Na C5 N1 16.1(5) 2_655 .
C10 C5 C6 C7 1.1(13) . .
N1 C5 C6 C7 179.8(8) . .
Na C5 C6 C7 -90.3(8) . .
C10 C5 C6 C17 -171.8(8) . .
N1 C5 C6 C17 6.9(12) . .
Na C5 C6 C17 96.8(8) . .
C10 C5 C6 Na 91.4(8) . .
N1 C5 C6 Na -89.9(7) . .
O1 Na C6 C7 -12.5(8) . .
Cl Na C6 C7 -135.9(7) 2_655 .
Cl Na C6 C7 136.9(7) . .
C5 Na C6 C7 119.4(9) . .
Na Na C6 C7 164.8(6) 2_655 .
Ga Na C6 C7 163.9(7) . .
Ga Na C6 C7 -159.1(7) 2_655 .
O1 Na C6 C5 -131.9(6) . .
Cl Na C6 C5 104.7(5) 2_655 .
Cl Na C6 C5 17.5(5) . .
Na Na C6 C5 45.4(8) 2_655 .
Ga Na C6 C5 44.5(5) . .
Ga Na C6 C5 81.5(5) 2_655 .
O1 Na C6 C17 109.4(6) . .
Cl Na C6 C17 -14.0(7) 2_655 .
Cl Na C6 C17 -101.2(6) . .
C5 Na C6 C17 -118.7(8) . .
Na Na C6 C17 -73.3(8) 2_655 .
Ga Na C6 C17 -74.2(5) . .
Ga Na C6 C17 -37.2(6) 2_655 .
C5 C6 C7 C8 -1.1(15) . .
C17 C6 C7 C8 171.9(10) . .
Na C6 C7 C8 -81.9(11) . .
C6 C7 C8 C9 1.5(17) . .
C7 C8 C9 C10 -2.1(18) . .
C6 C5 C10 C9 -1.5(13) . .
N1 C5 C10 C9 179.8(8) . .
Na C5 C10 C9 73.2(9) . .
C6 C5 C10 C20 -178.6(9) . .
N1 C5 C10 C20 2.8(14) . .
Na C5 C10 C20 -103.8(10) . .
C8 C9 C10 C5 2.1(16) . .
C8 C9 C10 C20 179.3(11) . .
C3 N2 C11 C12 103.7(10) . .
Ga N2 C11 C12 -84.0(10) . .
C3 N2 C11 C16 -77.9(10) . .
Ga N2 C11 C16 94.4(10) . .
N2 C11 C12 C13 178.6(9) . .
C16 C11 C12 C13 0.1(13) . .
N2 C11 C12 C23 -6.6(13) . .
C16 C11 C12 C23 174.9(8) . .
C11 C12 C13 C14 -1.4(16) . .
C23 C12 C13 C14 -176.2(10) . .
C12 C13 C14 C15 2.0(18) . .
C13 C14 C15 C16 -1.1(17) . .
C14 C15 C16 C11 -0.1(15) . .
C14 C15 C16 C26 179.0(10) . .
N2 C11 C16 C15 -177.8(8) . .
C12 C11 C16 C15 0.6(13) . .
N2 C11 C16 C26 3.1(13) . .
C12 C11 C16 C26 -178.5(9) . .
C7 C6 C17 C18 -79.7(13) . .
C5 C6 C17 C18 93.3(11) . .
Na C6 C17 C18 177.3(8) . .
C7 C6 C17 C19 42.3(13) . .
C5 C6 C17 C19 -144.7(10) . .
Na C6 C17 C19 -60.7(9) . .
C5 C10 C20 C22 -112.2(11) . .
C9 C10 C20 C22 70.9(14) . .
C5 C10 C20 C21 122.4(10) . .
C9 C10 C20 C21 -54.5(13) . .
C13 C12 C23 C25 -61.7(13) . .
C11 C12 C23 C25 123.7(10) . .
C13 C12 C23 C24 59.9(14) . .
C11 C12 C23 C24 -114.7(11) . .
C15 C16 C26 C27 -59.7(15) . .
C11 C16 C26 C27 119.4(12) . .
C15 C16 C26 C28 62.3(13) . .
C11 C16 C26 C28 -118.6(11) . .
C31 O1 C29 C30 147(3) . .
Na O1 C29 C30 -64(3) . .
C29 O1 C31 C32 172(2) . .
Na O1 C31 C32 20(2) . .
C33 O2 C33 C34 -56(86) 7_556 7_556
C33' O2 C33 C34 -176(2) . 7_556
C33' O2 C33 C34 4(2) 7_556 7_556
C33 O2 C33' C34 -175(2) . .
C33 O2 C33' C34 5(2) 7_556 .
C33' O2 C33' C34 114(100) 7_556 .
O2 C33' C34 C33 -4.0(19) . 7_556
