#------------------------------------------------------------------------------
#$Date: 2022-07-06 10:58:35 +0300 (Wed, 06 Jul 2022) $
#$Revision: 276601 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/69/1566936.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_1566936
loop_
_publ_author_name
'Graziano, Brendan J.'
'Scott, Thais R.'
'Vollmer, Matthew V.'
'Dorantes, Michael J.'
'Young, Jr, Victor G'
'Bill, Eckhard'
'Gagliardi, Laura'
'Lu, Connie C.'
_publ_section_title
;
 One-electron bonds in copper-aluminum and copper-gallium complexes.
;
_journal_issue                   22
_journal_name_full               'Chemical science'
_journal_page_first              6525
_journal_page_last               6531
_journal_paper_doi               10.1039/d2sc01998a
_journal_volume                  13
_journal_year                    2022
_chemical_formula_moiety         '2(C39 H60 Cu Ga N4 P3), B12 Cl12'
_chemical_formula_sum            'C78 H120 B12 Cl12 Cu2 Ga2 N8 P6'
_chemical_formula_weight         2177.39
_chemical_name_common            '[LGaCu]2B12Cl12'
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Light-sensitive
_space_group_crystal_system      trigonal
_space_group_IT_number           165
_space_group_name_Hall           '-P 3 2"c'
_space_group_name_H-M_alt        'P -3 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-04-08 deposited with the CCDC.	2022-05-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   14.9147(15)
_cell_length_b                   14.9147(15)
_cell_length_c                   26.629(3)
_cell_measurement_reflns_used    9787
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      35.75
_cell_measurement_theta_min      2.20
_cell_volume                     5130.0(9)
_computing_cell_refinement       'SAINT, Bruker'
_computing_data_collection       'APEX3, Bruker'
_computing_data_reduction        'SAINT, Bruker'
_computing_molecular_graphics    'Shelxle-(Rev. 825) (Huebschle, C. B.,2011)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_av_unetI/netI     0.0204
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            87983
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         36.309
_diffrn_reflns_theta_min         2.731
_diffrn_source                   'micro-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.9923
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, R. Blessing, 1995'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.122
_exptl_crystal_description       block
_exptl_crystal_F_000             2236
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: THF'
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   0.7417
_exptl_transmission_factor_min   0.7417
_refine_diff_density_max         3.468
_refine_diff_density_min         -1.875
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     185
_refine_ls_number_reflns         8281
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0737P)²+6.4110P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1277
_refine_ls_wR_factor_ref         0.1368
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6901
_reflns_number_total             8281
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc01998a2.cif
_cod_data_source_block           19032final_a_sq
_cod_depositor_comments
'Adding full bibliography for 1566932--1566937.cif.'
_cod_original_cell_volume        5129.9(12)
_cod_database_code               1566936
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.333333 0.666667 0.28607(2) 0.01632(7) Uani 1 3 d S T P . .
Cl1 Cl 0.73505(3) 0.85132(3) 0.52243(2) 0.02104(8) Uani 1 1 d . . . . .
P1 P 0.44670(3) 0.60510(3) 0.37595(2) 0.01848(8) Uani 1 1 d . . . . .
N1 N 0.333333 0.666667 0.20837(10) 0.0206(4) Uani 1 3 d S T P . .
C1 C 0.44374(15) 0.71426(14) 0.19606(6) 0.0222(3) Uani 1 1 d . . . . .
B3 B 0.95517(13) 1.03463(13) 0.55109(6) 0.0155(3) Uani 1 1 d . . . . .
C3 C 0.58865(19) 0.80089(17) 0.13997(8) 0.0333(4) Uani 1 1 d . . . . .
H3 H 0.616107 0.830611 0.108114 0.040 Uiso 1 1 calc R U . . .
C2 C 0.48359(18) 0.75889(16) 0.14980(7) 0.0288(4) Uani 1 1 d . . . . .
H2 H 0.439179 0.760820 0.124787 0.035 Uiso 1 1 calc R U . . .
N2 N 0.46296(11) 0.67116(12) 0.28075(5) 0.0214(3) Uani 1 1 d . . . . .
Cu2 Cu 0.333333 0.666667 0.38272(2) 0.01570(7) Uani 1 3 d S T P . .
Cl2 Cl 0.90703(4) 1.07148(4) 0.60429(2) 0.02405(9) Uani 1 1 d . . . . .
B2 B 0.87131(13) 0.92755(13) 0.51192(6) 0.0147(2) Uani 1 1 d . . . . .
C4 C 0.65304(17) 0.79903(17) 0.17707(8) 0.0319(4) Uani 1 1 d . . . . .
H4 H 0.724641 0.826999 0.170200 0.038 Uiso 1 1 calc R U . . .
C5 C 0.61453(15) 0.75692(16) 0.22415(8) 0.0277(3) Uani 1 1 d . . . . .
H5 H 0.660098 0.757595 0.249270 0.033 Uiso 1 1 calc R U . . .
C6 C 0.50820(14) 0.71327(14) 0.23474(6) 0.0220(3) Uani 1 1 d . . . . .
C7 C 0.52800(15) 0.66735(18) 0.32049(7) 0.0285(4) Uani 1 1 d . . . . .
H7A H 0.583368 0.738313 0.329044 0.034 Uiso 1 1 calc R U . . .
H7AB H 0.560874 0.627369 0.309107 0.034 Uiso 1 1 calc R U . . .
C9 C 0.53936(13) 0.65426(14) 0.42917(7) 0.0231(3) Uani 1 1 d . . . . .
H9 H 0.587501 0.729390 0.422316 0.028 Uiso 1 1 calc R U . . .
C8 C 0.60710(16) 0.60515(19) 0.43460(9) 0.0328(4) Uani 1 1 d . . . . .
H8A H 0.659185 0.641586 0.460719 0.049 Uiso 1 1 calc R U . . .
H8B H 0.641750 0.610075 0.402605 0.049 Uiso 1 1 calc R U . . .
H8C H 0.563965 0.532181 0.443969 0.049 Uiso 1 1 calc R U . . .
C10 C 0.48348(15) 0.64923(17) 0.47818(7) 0.0274(3) Uani 1 1 d . . . . .
H10A H 0.534135 0.679385 0.505441 0.041 Uiso 1 1 calc R U . . .
H10B H 0.433502 0.576864 0.486098 0.041 Uiso 1 1 calc R U . . .
H10C H 0.447003 0.688203 0.474382 0.041 Uiso 1 1 calc R U . . .
C11 C 0.34114(17) 0.40191(15) 0.41169(9) 0.0309(4) Uani 1 1 d . . . . .
H11A H 0.320301 0.329123 0.406018 0.046 Uiso 1 1 calc R U . . .
H11B H 0.279386 0.409053 0.413528 0.046 Uiso 1 1 calc R U . . .
H11C H 0.379690 0.425422 0.443304 0.046 Uiso 1 1 calc R U . . .
C12 C 0.40986(16) 0.46760(15) 0.36838(7) 0.0258(3) Uani 1 1 d . . . . .
H12 H 0.475231 0.464513 0.370250 0.031 Uiso 1 1 calc R U . . .
C13 C 0.3618(3) 0.4247(2) 0.31711(9) 0.0452(6) Uani 1 1 d . . . . .
H13A H 0.354222 0.356033 0.312564 0.068 Uiso 1 1 calc R U . . .
H13B H 0.406686 0.471294 0.290709 0.068 Uiso 1 1 calc R U . . .
H13C H 0.293605 0.419191 0.315141 0.068 Uiso 1 1 calc R U . . .
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'
B B 0.0013 0.0007 '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'
Cu Cu 0.3201 1.2651 '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'
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'
P P 0.1023 0.0942 '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
N2 Ga1 N2 119.454(12) . 2_665 ?
N2 Ga1 N2 119.452(12) . 3_565 ?
N2 Ga1 N2 119.453(12) 2_665 3_565 ?
N2 Ga1 N1 85.74(4) . . ?
N2 Ga1 N1 85.74(4) 2_665 . ?
N2 Ga1 N1 85.74(4) 3_565 . ?
N2 Ga1 Cu2 94.26(4) . . ?
N2 Ga1 Cu2 94.26(4) 2_665 . ?
N2 Ga1 Cu2 94.26(4) 3_565 . ?
N1 Ga1 Cu2 180.0 . . ?
C7 P1 C12 103.14(10) . . ?
C7 P1 C9 103.94(9) . . ?
C12 P1 C9 105.73(8) . . ?
C7 P1 Cu2 106.98(6) . . ?
C12 P1 Cu2 125.54(7) . . ?
C9 P1 Cu2 109.48(6) . . ?
C1 N1 C1 115.16(9) 2_665 3_565 ?
C1 N1 C1 115.16(9) 2_665 . ?
C1 N1 C1 115.16(9) 3_565 . ?
C1 N1 Ga1 102.90(12) 2_665 . ?
C1 N1 Ga1 102.90(12) 3_565 . ?
C1 N1 Ga1 102.91(12) . . ?
C2 C1 C6 121.48(18) . . ?
C2 C1 N1 122.64(19) . . ?
C6 C1 N1 115.88(16) . . ?
B3 B3 B3 59.998(1) 3_675 2_765 ?
B3 B3 B2 108.00(10) 3_675 . ?
B3 B3 B2 60.23(11) 2_765 . ?
B3 B3 B2 60.11(11) 3_675 3_675 ?
B3 B3 B2 107.90(9) 2_765 3_675 ?
B2 B3 B2 107.34(13) . 3_675 ?
B3 B3 B2 107.87(8) 3_675 8_566 ?
B3 B3 B2 107.95(8) 2_765 8_566 ?
B2 B3 B2 59.66(7) . 8_566 ?
B2 B3 B2 59.61(7) 3_675 8_566 ?
B3 B3 Cl2 122.16(8) 3_675 . ?
B3 B3 Cl2 122.05(8) 2_765 . ?
B2 B3 Cl2 121.68(11) . . ?
B2 B3 Cl2 121.90(11) 3_675 . ?
B2 B3 Cl2 121.34(11) 8_566 . ?
C4 C3 C2 119.48(18) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C1 C2 C3 120.0(2) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C6 N2 C7 118.46(14) . . ?
C6 N2 Ga1 109.67(11) . . ?
C7 N2 Ga1 128.96(12) . . ?
P1 Cu2 P1 119.395(4) 2_665 3_565 ?
P1 Cu2 P1 119.391(4) 2_665 . ?
P1 Cu2 P1 119.390(4) 3_565 . ?
P1 Cu2 Ga1 85.504(14) 2_665 . ?
P1 Cu2 Ga1 85.504(14) 3_565 . ?
P1 Cu2 Ga1 85.503(14) . . ?
B2 B2 B2 108.05(10) 8_566 9_656 ?
B2 B2 Cl1 120.93(11) 8_566 . ?
B2 B2 Cl1 121.36(11) 9_656 . ?
B2 B2 B3 60.30(8) 8_566 . ?
B2 B2 B3 108.04(9) 9_656 . ?
Cl1 B2 B3 122.79(11) . . ?
B2 B2 B3 108.01(9) 8_566 2_765 ?
B2 B2 B3 60.25(8) 9_656 2_765 ?
Cl1 B2 B3 123.11(11) . 2_765 ?
B3 B2 B3 59.67(12) . 2_765 ?
B2 B2 B3 60.12(10) 8_566 9_656 ?
B2 B2 B3 60.05(10) 9_656 9_656 ?
Cl1 B2 B3 119.81(11) . 9_656 ?
B3 B2 B3 108.47(13) . 9_656 ?
B3 B2 B3 108.37(13) 2_765 9_656 ?
C3 C4 C5 121.13(19) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C4 C5 C6 120.3(2) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
N2 C6 C5 124.45(17) . . ?
N2 C6 C1 117.93(15) . . ?
C5 C6 C1 117.60(16) . . ?
N2 C7 P1 108.61(12) . . ?
N2 C7 H7A 110.0 . . ?
P1 C7 H7A 110.0 . . ?
N2 C7 H7AB 110.0 . . ?
P1 C7 H7AB 110.0 . . ?
H7A C7 H7AB 108.3 . . ?
C8 C9 C10 111.82(16) . . ?
C8 C9 P1 115.13(15) . . ?
C10 C9 P1 110.63(12) . . ?
C8 C9 H9 106.2 . . ?
C10 C9 H9 106.2 . . ?
P1 C9 H9 106.2 . . ?
C9 C8 H8A 109.5 . . ?
C9 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C9 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C11 112.5(2) . . ?
C13 C12 P1 112.29(14) . . ?
C11 C12 P1 111.14(13) . . ?
C13 C12 H12 106.8 . . ?
C11 C12 H12 106.8 . . ?
P1 C12 H12 106.8 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
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 N2 1.9059(14) . ?
Ga1 N2 1.9060(14) 2_665 ?
Ga1 N2 1.9060(15) 3_565 ?
Ga1 N1 2.069(3) . ?
Ga1 Cu2 2.5737(5) . ?
Cl1 B2 1.7862(17) . ?
P1 C7 1.8407(19) . ?
P1 C12 1.8497(19) . ?
P1 C9 1.8554(18) . ?
P1 Cu2 2.2994(5) . ?
N1 C1 1.4676(19) 2_665 ?
N1 C1 1.468(2) 3_565 ?
N1 C1 1.4676(19) . ?
C1 C2 1.385(2) . ?
C1 C6 1.414(3) . ?
B3 B3 1.783(3) 3_675 ?
B3 B3 1.783(3) 2_765 ?
B3 B2 1.790(2) . ?
B3 B2 1.793(2) 3_675 ?
B3 B2 1.795(2) 8_566 ?
B3 Cl2 1.7940(16) . ?
C3 C4 1.388(4) . ?
C3 C2 1.391(3) . ?
C3 H3 0.9500 . ?
C2 H2 0.9500 . ?
N2 C6 1.388(2) . ?
N2 C7 1.456(2) . ?
B2 B2 1.7834(19) 8_566 ?
B2 B2 1.7835(19) 9_656 ?
C4 C5 1.391(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.409(3) . ?
C5 H5 0.9500 . ?
C7 H7A 0.9900 . ?
C7 H7AB 0.9900 . ?
C9 C8 1.523(3) . ?
C9 C10 1.530(3) . ?
C9 H9 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.529(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.526(3) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
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 N1 C1 C2 -48.4(3) 2_665 . . . ?
C1 N1 C1 C2 89.3(2) 3_565 . . . ?
Ga1 N1 C1 C2 -159.52(16) . . . . ?
C1 N1 C1 C6 130.8(2) 2_665 . . . ?
C1 N1 C1 C6 -91.5(3) 3_565 . . . ?
Ga1 N1 C1 C6 19.65(15) . . . . ?
C6 C1 C2 C3 2.2(3) . . . . ?
N1 C1 C2 C3 -178.65(17) . . . . ?
C4 C3 C2 C1 -1.0(3) . . . . ?
B3 B3 B2 B2 -100.59(11) 3_675 . . 8_566 ?
B3 B3 B2 B2 -138.26(9) 2_765 . . 8_566 ?
B2 B3 B2 B2 -37.17(6) 3_675 . . 8_566 ?
Cl2 B3 B2 B2 110.31(13) . . . 8_566 ?
B3 B3 B2 B2 0.33(15) 3_675 . . 9_656 ?
B3 B3 B2 B2 -37.34(11) 2_765 . . 9_656 ?
B2 B3 B2 B2 63.75(15) 3_675 . . 9_656 ?
B2 B3 B2 B2 100.92(14) 8_566 . . 9_656 ?
Cl2 B3 B2 B2 -148.77(12) . . . 9_656 ?
B3 B3 B2 Cl1 149.75(10) 3_675 . . . ?
B3 B3 B2 Cl1 112.08(13) 2_765 . . . ?
B2 B3 B2 Cl1 -146.83(13) 3_675 . . . ?
B2 B3 B2 Cl1 -109.66(13) 8_566 . . . ?
Cl2 B3 B2 Cl1 0.65(19) . . . . ?
B3 B3 B2 B3 37.67(6) 3_675 . . 2_765 ?
B2 B3 B2 B3 101.09(10) 3_675 . . 2_765 ?
B2 B3 B2 B3 138.26(9) 8_566 . . 2_765 ?
Cl2 B3 B2 B3 -111.43(13) . . . 2_765 ?
B3 B3 B2 B3 -63.25(15) 3_675 . . 9_656 ?
B3 B3 B2 B3 -100.93(15) 2_765 . . 9_656 ?
B2 B3 B2 B3 0.16(15) 3_675 . . 9_656 ?
B2 B3 B2 B3 37.34(12) 8_566 . . 9_656 ?
Cl2 B3 B2 B3 147.64(9) . . . 9_656 ?
C2 C3 C4 C5 -0.7(3) . . . . ?
C3 C4 C5 C6 1.2(3) . . . . ?
C7 N2 C6 C5 -2.7(3) . . . . ?
Ga1 N2 C6 C5 159.67(16) . . . . ?
C7 N2 C6 C1 178.50(18) . . . . ?
Ga1 N2 C6 C1 -19.1(2) . . . . ?
C4 C5 C6 N2 -178.81(19) . . . . ?
C4 C5 C6 C1 0.0(3) . . . . ?
C2 C1 C6 N2 177.16(18) . . . . ?
N1 C1 C6 N2 -2.0(2) . . . . ?
C2 C1 C6 C5 -1.7(3) . . . . ?
N1 C1 C6 C5 179.11(15) . . . . ?
C6 N2 C7 P1 -178.58(14) . . . . ?
Ga1 N2 C7 P1 22.9(2) . . . . ?
C12 P1 C7 N2 93.55(15) . . . . ?
C9 P1 C7 N2 -156.28(14) . . . . ?
Cu2 P1 C7 N2 -40.50(16) . . . . ?
C7 P1 C9 C8 -76.06(16) . . . . ?
C12 P1 C9 C8 32.20(16) . . . . ?
Cu2 P1 C9 C8 169.93(13) . . . . ?
C7 P1 C9 C10 155.97(14) . . . . ?
C12 P1 C9 C10 -95.77(14) . . . . ?
Cu2 P1 C9 C10 41.97(14) . . . . ?
C7 P1 C12 C13 -53.2(2) . . . . ?
C9 P1 C12 C13 -162.03(18) . . . . ?
Cu2 P1 C12 C13 69.2(2) . . . . ?
C7 P1 C12 C11 179.81(14) . . . . ?
C9 P1 C12 C11 70.98(16) . . . . ?
Cu2 P1 C12 C11 -57.83(16) . . . . ?
