#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:49:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179492 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/89/4338978.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_4338978
loop_
_publ_author_name
'Kempter, Andreas'
'Gemel, Christian'
'Cadenbach, Thomas'
'Fischer, Roland A.'
_publ_section_title
;
 Synthesis and structure of new compounds with Zn-Ga bonds: insertion of
 the gallium(I) bisimidinate Ga(DDP) into Zn-X (X = CH3, Cl) and the
 homoleptic complex cation [Zn(GaCp*)4]2+.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9481
_journal_page_last               9487
_journal_paper_doi               10.1021/ic7013804
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C156 H154 B2 Cl2 F50 Ga2 N4 O4 Zn2'
_chemical_formula_weight         3461.53
_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                97.492(9)
_cell_angle_beta                 96.700(9)
_cell_angle_gamma                95.653(8)
_cell_formula_units_Z            1
_cell_length_a                   14.9889(15)
_cell_length_b                   15.3966(15)
_cell_length_c                   17.283(2)
_cell_measurement_reflns_used    200
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      0
_cell_volume                     3901.2(7)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.170.32 (release 06.06.2003 CrysAlis170 VC++)
(compiled Jun  6 2003,13:53:32)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.170.32 (release 06.06.2003 CrysAlis170 VC++)
(compiled Jun  6 2003,13:53:32)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.170.32 (release 06.06.2003 CrysAlis170 VC++)
(compiled Jun  6 2003,13:53:32)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 'not measured'
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega 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  0.1527
_diffrn_reflns_av_sigmaI/netI    0.5801
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            33486
_diffrn_reflns_theta_full        25.52
_diffrn_reflns_theta_max         25.52
_diffrn_reflns_theta_min         2.69
_diffrn_standards_decay_%        'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_number         'not measured'
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_T_max  0.961
_exptl_absorpt_correction_T_min  0.953
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             1766
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.805
_refine_diff_density_min         -0.711
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.568
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     980
_refine_ls_number_reflns         14176
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.568
_refine_ls_R_factor_all          0.2158
_refine_ls_R_factor_gt           0.0532
_refine_ls_shift/su_max          0.230
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0111P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0692
_refine_ls_wR_factor_ref         0.0836
_reflns_number_gt                3318
_reflns_number_total             14176
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7013804-file003.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4338978
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
Ga Ga 0.40485(5) 0.60159(4) 0.18279(4) 0.0288(2) Uani 1 1 d .
Zn Zn 0.49909(5) 0.55917(5) 0.08482(4) 0.0323(2) Uani 1 1 d .
Cl1 Cl 0.52416(10) 0.41219(9) 0.04676(9) 0.0346(5) Uani 1 1 d .
O1 O 0.4100(3) 0.5095(3) 0.2627(3) 0.0350(12) Uani 1 1 d .
O2 O 0.6302(3) 0.6113(3) 0.1076(2) 0.0390(13) Uani 1 1 d .
N1 N 0.2751(3) 0.5983(3) 0.1700(3) 0.0240(14) Uani 1 1 d .
N2 N 0.4303(4) 0.7054(3) 0.2623(3) 0.0287(15) Uani 1 1 d .
C5 C 0.3898(4) 0.8142(3) 0.3641(3) 0.0345(19) Uani 1 1 d .
H5A H 0.4539 0.8360 0.3668 0.052 Uiso 1 1 calc R
H5B H 0.3777 0.7983 0.4153 0.052 Uiso 1 1 calc R
H5C H 0.3528 0.8605 0.3506 0.052 Uiso 1 1 calc R
C23 C 0.5916(5) 0.7384(4) 0.3171(4) 0.0303(19) Uani 1 1 d .
C18 C 0.5172(4) 0.7610(4) 0.2708(4) 0.0242(17) Uani 1 1 d .
C12 C 0.2465(4) 0.6959(4) 0.0363(4) 0.038(2) Uani 1 1 d .
H12A H 0.3084 0.6986 0.0659 0.046 Uiso 1 1 calc R
C8 C 0.1358(4) 0.5649(4) -0.0274(4) 0.036(2) Uani 1 1 d .
H8A H 0.1199 0.5974 -0.0691 0.043 Uiso 1 1 calc R
C6 C 0.2173(4) 0.5547(4) 0.0985(4) 0.0297(19) Uani 1 1 d .
C1 C 0.2327(4) 0.6397(4) 0.2249(4) 0.0264(18) Uani 1 1 d .
C19 C 0.5200(4) 0.8349(4) 0.2299(4) 0.0288(18) Uani 1 1 d .
C29 C 0.6590(4) 0.6026(4) 0.3508(4) 0.074(3) Uani 1 1 d .
H29A H 0.6556 0.5801 0.2946 0.111 Uiso 1 1 calc R
H29B H 0.6508 0.5530 0.3805 0.111 Uiso 1 1 calc R
H29C H 0.7183 0.6363 0.3693 0.111 Uiso 1 1 calc R
C24 C 0.4418(4) 0.8555(4) 0.1755(4) 0.0310(18) Uani 1 1 d .
H24A H 0.3869 0.8156 0.1813 0.037 Uiso 1 1 calc R
C7 C 0.1997(4) 0.6038(4) 0.0363(4) 0.0271(18) Uani 1 1 d .
C9 C 0.0959(4) 0.4804(5) -0.0303(4) 0.042(2) Uani 1 1 d .
H9A H 0.0516 0.4556 -0.0733 0.050 Uiso 1 1 calc R
C35 C 0.7626(4) 0.7137(4) 0.1207(4) 0.047(2) Uani 1 1 d .
H35A H 0.7909 0.7084 0.0715 0.057 Uiso 1 1 calc R
H35B H 0.7856 0.7714 0.1526 0.057 Uiso 1 1 calc R
C3 C 0.3665(5) 0.7343(4) 0.3021(4) 0.0305(19) Uani 1 1 d .
C34 C 0.6595(4) 0.7034(4) 0.1028(4) 0.039(2) Uani 1 1 d .
H34A H 0.6334 0.7429 0.1418 0.047 Uiso 1 1 calc R
H34B H 0.6405 0.7176 0.0496 0.047 Uiso 1 1 calc R
C26 C 0.4226(4) 0.9522(4) 0.1969(3) 0.044(2) Uani 1 1 d .
H26A H 0.4088 0.9616 0.2512 0.066 Uiso 1 1 calc R
H26B H 0.3710 0.9639 0.1611 0.066 Uiso 1 1 calc R
H26C H 0.4760 0.9922 0.1919 0.066 Uiso 1 1 calc R
C21 C 0.6786(5) 0.8654(5) 0.2828(4) 0.041(2) Uani 1 1 d .
H21A H 0.7346 0.9015 0.2872 0.049 Uiso 1 1 calc R
C28 C 0.5911(5) 0.6929(5) 0.4530(4) 0.095(3) Uani 1 1 d .
H28A H 0.5852 0.6413 0.4806 0.142 Uiso 1 1 calc R
H28B H 0.5422 0.7289 0.4630 0.142 Uiso 1 1 calc R
H28C H 0.6495 0.7279 0.4722 0.142 Uiso 1 1 calc R
C37 C 0.7080(4) 0.5673(4) 0.1248(4) 0.042(2) Uani 1 1 d .
H37A H 0.7266 0.5379 0.0758 0.051 Uiso 1 1 calc R
H37B H 0.6955 0.5224 0.1595 0.051 Uiso 1 1 calc R
C20 C 0.6038(5) 0.8849(4) 0.2373(4) 0.038(2) Uani 1 1 d .
H20A H 0.6095 0.9344 0.2099 0.045 Uiso 1 1 calc R
C11 C 0.1810(4) 0.4663(4) 0.0943(4) 0.0313(19) Uani 1 1 d .
C27 C 0.5854(4) 0.6619(4) 0.3630(4) 0.041(2) Uani 1 1 d .
H27A H 0.5257 0.6259 0.3449 0.050 Uiso 1 1 calc R
C4 C 0.1302(4) 0.6229(3) 0.2189(3) 0.0333(19) Uani 1 1 d .
H4A H 0.1067 0.5819 0.1710 0.050 Uiso 1 1 calc R
H4B H 0.1043 0.6787 0.2168 0.050 Uiso 1 1 calc R
H4C H 0.1136 0.5973 0.2649 0.050 Uiso 1 1 calc R
C30 C 0.3670(5) 0.5122(4) 0.3350(4) 0.048(2) Uani 1 1 d .
H30A H 0.3008 0.5118 0.3226 0.057 Uiso 1 1 calc R
H30B H 0.3911 0.5663 0.3719 0.057 Uiso 1 1 calc R
C25 C 0.4592(4) 0.8402(4) 0.0893(3) 0.0388(19) Uani 1 1 d .
H25A H 0.4682 0.7783 0.0748 0.058 Uiso 1 1 calc R
H25B H 0.5133 0.8783 0.0828 0.058 Uiso 1 1 calc R
H25C H 0.4070 0.8542 0.0554 0.058 Uiso 1 1 calc R
C15 C 0.2070(5) 0.4089(4) 0.1547(4) 0.041(2) Uani 1 1 d .
H15A H 0.2466 0.4471 0.1994 0.049 Uiso 1 1 calc R
C2 C 0.2766(4) 0.6967(4) 0.2896(4) 0.0268(18) Uani 1 1 d .
H2A H 0.2413 0.7122 0.3304 0.032 Uiso 1 1 calc R
C22 C 0.6718(5) 0.7932(5) 0.3220(4) 0.045(2) Uani 1 1 d .
H22A H 0.7239 0.7805 0.3535 0.054 Uiso 1 1 calc R
C36 C 0.7809(4) 0.6393(4) 0.1660(4) 0.040(2) Uani 1 1 d .
H36A H 0.7741 0.6546 0.2223 0.048 Uiso 1 1 calc R
H36B H 0.8421 0.6219 0.1616 0.048 Uiso 1 1 calc R
C13 C 0.1994(4) 0.7682(4) 0.0793(4) 0.055(2) Uani 1 1 d .
H13A H 0.1939 0.7561 0.1329 0.083 Uiso 1 1 calc R
H13B H 0.1391 0.7694 0.0509 0.083 Uiso 1 1 calc R
H13C H 0.2352 0.8255 0.0815 0.083 Uiso 1 1 calc R
C17 C 0.2627(4) 0.3389(4) 0.1210(4) 0.054(2) Uani 1 1 d .
H17A H 0.3147 0.3676 0.1007 0.082 Uiso 1 1 calc R
H17B H 0.2251 0.2989 0.0782 0.082 Uiso 1 1 calc R
H17C H 0.2842 0.3053 0.1625 0.082 Uiso 1 1 calc R
C33 C 0.4610(4) 0.4349(4) 0.2568(4) 0.049(2) Uani 1 1 d .
H33A H 0.5266 0.4544 0.2698 0.059 Uiso 1 1 calc R
H33B H 0.4495 0.4018 0.2029 0.059 Uiso 1 1 calc R
C32 C 0.4290(5) 0.3787(5) 0.3152(5) 0.067(3) Uani 1 1 d .
H32A H 0.3847 0.3290 0.2879 0.080 Uiso 1 1 calc R
H32B H 0.4806 0.3543 0.3424 0.080 Uiso 1 1 calc R
C10 C 0.1187(4) 0.4313(4) 0.0277(4) 0.040(2) Uani 1 1 d .
H10A H 0.0919 0.3719 0.0229 0.049 Uiso 1 1 calc R
C31 C 0.3878(7) 0.4330(6) 0.3705(6) 0.150(5) Uani 1 1 d .
H31A H 0.4294 0.4502 0.4202 0.180 Uiso 1 1 calc R
H31B H 0.3316 0.4008 0.3823 0.180 Uiso 1 1 calc R
C14 C 0.2589(4) 0.7158(4) -0.0465(4) 0.059(2) Uani 1 1 d .
H14A H 0.2911 0.6704 -0.0726 0.089 Uiso 1 1 calc R
H14B H 0.2940 0.7737 -0.0429 0.089 Uiso 1 1 calc R
H14C H 0.1995 0.7160 -0.0769 0.089 Uiso 1 1 calc R
C16 C 0.1271(4) 0.3651(4) 0.1888(4) 0.065(3) Uani 1 1 d .
H16A H 0.0932 0.4106 0.2124 0.098 Uiso 1 1 calc R
H16B H 0.1497 0.3306 0.2292 0.098 Uiso 1 1 calc R
H16C H 0.0874 0.3261 0.1467 0.098 Uiso 1 1 calc R
F22 F 0.9416(4) 0.5348(3) 0.3134(3) 0.133(2) Uani 1 1 d .
F6 F 0.7296(2) -0.0017(2) -0.0317(2) 0.0418(11) Uani 1 1 d .
F4 F 0.5902(2) -0.0345(2) -0.0147(2) 0.0441(11) Uani 1 1 d .
F5 F 0.6948(2) -0.1074(2) 0.03281(19) 0.0431(11) Uani 1 1 d .
F2 F 0.5052(3) 0.2013(3) 0.1588(3) 0.0821(16) Uani 1 1 d .
F1 F 0.5423(3) 0.1793(3) 0.2749(3) 0.0790(16) Uani 1 1 d .
F3 F 0.6062(2) 0.2874(2) 0.2324(3) 0.0745(15) Uani 1 1 d .
F14 F 0.9041(3) -0.0430(3) 0.5550(2) 0.0768(15) Uani 1 1 d .
F15 F 0.8198(4) 0.0523(3) 0.5262(3) 0.109(2) Uani 1 1 d .
F13 F 0.7762(3) -0.0844(3) 0.4962(2) 0.0808(15) Uani 1 1 d .
F12 F 0.9460(3) -0.2563(3) 0.3007(3) 0.110(2) Uani 1 1 d .
F10 F 0.9860(4) -0.1953(3) 0.2129(3) 0.110(2) Uani 1 1 d .
F11 F 1.0712(3) -0.1832(3) 0.3190(3) 0.155(3) Uani 1 1 d .
F25 F 1.1596(4) 0.3082(8) 0.4718(5) 0.282(7) Uani 1 1 d .
F23 F 1.1114(4) 0.4134(3) 0.5180(3) 0.121(2) Uani 1 1 d .
F24 F 1.0709(6) 0.2953(5) 0.5382(4) 0.242(6) Uani 1 1 d .
F34 F 1.2426(3) 0.0449(3) 0.2663(3) 0.0902(17) Uani 1 1 d .
F33 F 1.2559(3) 0.1828(3) 0.2952(3) 0.0900(17) Uani 1 1 d .
F35 F 1.3034(3) 0.1280(3) 0.1913(3) 0.0623(13) Uani 1 1 d .
F21 F 0.8245(4) 0.4800(4) 0.3102(3) 0.133(2) Uiso 1 1 d .
F20 F 0.8699(7) 0.4507(4) 0.2160(3) 0.257(6) Uani 1 1 d .
F31 F 0.9553(2) 0.0900(2) -0.0483(2) 0.0483(12) Uani 1 1 d .
F30 F 1.0295(2) 0.2179(2) -0.0274(2) 0.0518(12) Uani 1 1 d .
F32 F 1.0983(3) 0.1037(2) -0.0488(2) 0.0599(13) Uani 1 1 d .
C40 C 0.7997(4) 0.1144(4) 0.2069(4) 0.0216(17) Uani 1 1 d .
C47 C 0.6770(5) -0.0276(5) 0.0212(4) 0.0318(19) Uani 1 1 d .
C42 C 0.6458(5) 0.1483(4) 0.1865(4) 0.0298(19) Uani 1 1 d .
C41 C 0.7308(4) 0.1596(4) 0.2295(4) 0.0273(18) Uani 1 1 d .
H41A H 0.7418 0.2004 0.2767 0.033 Uiso 1 1 calc R
C45 C 0.7774(4) 0.0502(4) 0.1384(4) 0.0284(18) Uani 1 1 d .
H45A H 0.8220 0.0149 0.1214 0.034 Uiso 1 1 calc R
C60 C 0.9273(4) 0.2240(4) 0.3078(4) 0.0240(17) Uani 1 1 d .
C64 C 1.0217(4) 0.3234(5) 0.4143(4) 0.0325(19) Uani 1 1 d .
C61 C 0.8999(4) 0.3004(4) 0.2803(4) 0.0333(19) Uani 1 1 d .
H61A H 0.8590 0.2934 0.2330 0.040 Uiso 1 1 calc R
C70 C 0.9825(4) 0.1244(4) 0.1981(4) 0.0268(18) Uani 1 1 d .
C65 C 0.9897(4) 0.2403(4) 0.3761(4) 0.0296(18) Uani 1 1 d .
H65A H 1.0112 0.1912 0.3973 0.035 Uiso 1 1 calc R
C75 C 1.0713(5) 0.1209(4) 0.2341(4) 0.0328(19) Uani 1 1 d .
H75A H 1.0817 0.1181 0.2890 0.039 Uiso 1 1 calc R
C52 C 0.9465(5) -0.1044(4) 0.3217(4) 0.036(2) Uani 1 1 d .
C44 C 0.6924(5) 0.0385(4) 0.0968(4) 0.0266(18) Uani 1 1 d .
C50 C 0.9096(4) 0.0454(4) 0.3061(4) 0.0257(18) Uani 1 1 d .
C55 C 0.8767(4) 0.0456(4) 0.3785(4) 0.0283(18) Uani 1 1 d .
H55A H 0.8518 0.0965 0.3999 0.034 Uiso 1 1 calc R
C62 C 0.9284(5) 0.3841(4) 0.3175(4) 0.0344(19) Uani 1 1 d .
C43 C 0.6250(4) 0.0872(4) 0.1176(4) 0.0292(18) Uani 1 1 d .
H43A H 0.5671 0.0800 0.0869 0.035 Uiso 1 1 calc R
C74 C 1.1427(4) 0.1215(4) 0.1912(5) 0.0316(19) Uani 1 1 d .
C56 C 0.9923(6) -0.1817(5) 0.2913(6) 0.053(3) Uani 1 1 d .
C72 C 1.0466(5) 0.1291(4) 0.0739(4) 0.0305(19) Uani 1 1 d .
C51 C 0.9439(4) -0.0331(4) 0.2779(4) 0.035(2) Uani 1 1 d .
H51A H 1.0067 -0.0164 0.2681 0.042 Uiso 1 1 calc R
H51B H 0.9086 -0.0562 0.2260 0.042 Uiso 1 1 calc R
C71 C 0.9747(4) 0.1298(3) 0.1175(4) 0.0249(17) Uani 1 1 d .
H71A H 0.9165 0.1343 0.0910 0.030 Uiso 1 1 calc R
C53 C 0.9145(4) -0.1002(4) 0.3923(4) 0.0312(19) Uani 1 1 d .
H53A H 0.9166 -0.1482 0.4217 0.037 Uiso 1 1 calc R
C67 C 1.0842(8) 0.3378(6) 0.4866(7) 0.094(4) Uani 1 1 d .
C63 C 0.9914(5) 0.3965(4) 0.3853(4) 0.044(2) Uani 1 1 d .
H63A H 1.0131 0.4542 0.4111 0.053 Uiso 1 1 calc R
C73 C 1.1331(5) 0.1240(4) 0.1108(4) 0.034(2) Uani 1 1 d .
H73A H 1.1834 0.1224 0.0821 0.040 Uiso 1 1 calc R
C46 C 0.5756(5) 0.2018(5) 0.2118(5) 0.043(2) Uani 1 1 d .
C77 C 1.2363(5) 0.1158(5) 0.2332(5) 0.051(2) Uani 1 1 d .
C54 C 0.8789(4) -0.0248(4) 0.4205(4) 0.0274(18) Uani 1 1 d .
C57 C 0.8459(6) -0.0215(5) 0.4974(5) 0.049(2) Uani 1 1 d .
C66 C 0.9070(6) 0.4621(6) 0.2715(8) 0.113(5) Uani 1 1 d .
C76 C 1.0320(5) 0.1340(5) -0.0106(5) 0.042(2) Uani 1 1 d .
B B 0.9032(5) 0.1266(5) 0.2534(5) 0.027(2) Uani 1 1 d .
F40 F 0.3873(4) 0.5775(4) 0.5377(4) 0.153(2) Uani 1 1 d .
C100 C 0.3146(10) 0.6272(8) 0.5237(7) 0.094(4) Uani 1 1 d .
C104 C 0.2722(7) 0.7688(5) 0.5341(5) 0.064(3) Uani 1 1 d .
H10B H 0.2838 0.8307 0.5503 0.077 Uiso 1 1 calc R
C105 C 0.3390(6) 0.7157(7) 0.5499(4) 0.074(3) Uani 1 1 d .
H10C H 0.3973 0.7383 0.5768 0.088 Uiso 1 1 calc R
C101 C 0.2341(9) 0.5891(8) 0.4861(7) 0.113(5) Uani 1 1 d .
H10E H 0.2234 0.5272 0.4699 0.135 Uiso 1 1 calc R
C103 C 0.1883(6) 0.7324(6) 0.4948(5) 0.066(3) Uani 1 1 d .
H10F H 0.1433 0.7698 0.4832 0.079 Uiso 1 1 calc R
C102 C 0.1691(8) 0.6417(7) 0.4719(6) 0.100(4) Uani 1 1 d .
H10G H 0.1107 0.6171 0.4466 0.120 Uiso 1 1 calc R
C112 C 0.5638(5) -0.0061(5) 0.4601(5) 0.077(3) Uiso 1 1 d .
H11C H 0.6185 -0.0163 0.4394 0.093 Uiso 1 1 calc R
C110 C 0.4456(5) 0.0509(5) 0.4733(5) 0.092(3) Uiso 1 1 d .
H11A H 0.3997 0.0882 0.4648 0.110 Uiso 1 1 calc R
C111 C 0.5110(5) 0.0530(4) 0.4135(4) 0.065(2) Uiso 1 1 d .
H11D H 0.5166 0.0795 0.3674 0.078 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'
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'
F F 0.0171 0.0103 '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'
Zn Zn 0.2839 1.4301 '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
N1 Ga N2 96.8(2) . .
N1 Ga O1 95.26(18) . .
N2 Ga O1 95.69(19) . .
N1 Ga Zn 127.88(16) . .
N2 Ga Zn 125.62(17) . .
O1 Ga Zn 107.43(13) . .
O2 Zn Cl1 97.37(13) . .
O2 Zn Cl1 96.39(13) . 2_665
Cl1 Zn Cl1 92.96(6) . 2_665
O2 Zn Ga 116.13(12) . .
Cl1 Zn Ga 123.24(5) . .
Cl1 Zn Ga 124.33(5) 2_665 .
Zn Cl1 Zn 87.04(6) . 2_665
C33 O1 C30 108.6(5) . .
C33 O1 Ga 124.7(4) . .
C30 O1 Ga 126.6(4) . .
C37 O2 C34 108.8(4) . .
C37 O2 Zn 128.3(4) . .
C34 O2 Zn 122.8(4) . .
C1 N1 C6 115.7(5) . .
C1 N1 Ga 121.4(4) . .
C6 N1 Ga 122.8(4) . .
C3 N2 C18 118.1(5) . .
C3 N2 Ga 121.1(4) . .
C18 N2 Ga 120.1(4) . .
C3 C5 H5A 109.5 . .
C3 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C3 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C22 C23 C18 116.3(6) . .
C22 C23 C27 121.0(6) . .
C18 C23 C27 122.6(6) . .
C23 C18 C19 123.9(6) . .
C23 C18 N2 119.2(6) . .
C19 C18 N2 116.9(6) . .
C7 C12 C14 112.7(5) . .
C7 C12 C13 113.0(5) . .
C14 C12 C13 110.1(6) . .
C7 C12 H12A 106.9 . .
C14 C12 H12A 106.9 . .
C13 C12 H12A 106.9 . .
C9 C8 C7 120.6(7) . .
C9 C8 H8A 119.7 . .
C7 C8 H8A 119.7 . .
C11 C6 C7 122.3(6) . .
C11 C6 N1 119.4(6) . .
C7 C6 N1 118.3(6) . .
N1 C1 C2 123.7(6) . .
N1 C1 C4 119.5(5) . .
C2 C1 C4 116.8(6) . .
C20 C19 C18 115.6(6) . .
C20 C19 C24 120.3(6) . .
C18 C19 C24 123.8(6) . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C19 C24 C25 111.4(5) . .
C19 C24 C26 110.9(5) . .
C25 C24 C26 109.2(5) . .
C19 C24 H24A 108.4 . .
C25 C24 H24A 108.4 . .
C26 C24 H24A 108.4 . .
C8 C7 C6 117.5(6) . .
C8 C7 C12 119.8(6) . .
C6 C7 C12 122.8(6) . .
C10 C9 C8 121.2(6) . .
C10 C9 H9A 119.4 . .
C8 C9 H9A 119.4 . .
C36 C35 C34 103.4(5) . .
C36 C35 H35A 111.1 . .
C34 C35 H35A 111.1 . .
C36 C35 H35B 111.1 . .
C34 C35 H35B 111.1 . .
H35A C35 H35B 109.1 . .
N2 C3 C2 124.2(6) . .
N2 C3 C5 119.3(6) . .
C2 C3 C5 116.5(7) . .
O2 C34 C35 105.7(5) . .
O2 C34 H34A 110.6 . .
C35 C34 H34A 110.6 . .
O2 C34 H34B 110.6 . .
C35 C34 H34B 110.6 . .
H34A C34 H34B 108.7 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C20 C21 C22 119.7(7) . .
C20 C21 H21A 120.2 . .
C22 C21 H21A 120.2 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
O2 C37 C36 105.2(5) . .
O2 C37 H37A 110.7 . .
C36 C37 H37A 110.7 . .
O2 C37 H37B 110.7 . .
C36 C37 H37B 110.7 . .
H37A C37 H37B 108.8 . .
C21 C20 C19 122.3(6) . .
C21 C20 H20A 118.8 . .
C19 C20 H20A 118.8 . .
C6 C11 C10 116.5(7) . .
C6 C11 C15 123.8(6) . .
C10 C11 C15 119.7(6) . .
C23 C27 C29 112.8(6) . .
C23 C27 C28 112.0(6) . .
C29 C27 C28 107.6(6) . .
C23 C27 H27A 108.1 . .
C29 C27 H27A 108.1 . .
C28 C27 H27A 108.1 . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
O1 C30 C31 106.9(6) . .
O1 C30 H30A 110.3 . .
C31 C30 H30A 110.3 . .
O1 C30 H30B 110.3 . .
C31 C30 H30B 110.3 . .
H30A C30 H30B 108.6 . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C11 C15 C17 110.2(6) . .
C11 C15 C16 114.4(6) . .
C17 C15 C16 110.0(5) . .
C11 C15 H15A 107.3 . .
C17 C15 H15A 107.3 . .
C16 C15 H15A 107.3 . .
C1 C2 C3 127.8(6) . .
C1 C2 H2A 116.1 . .
C3 C2 H2A 116.1 . .
C21 C22 C23 122.2(7) . .
C21 C22 H22A 118.9 . .
C23 C22 H22A 118.9 . .
C35 C36 C37 101.4(5) . .
C35 C36 H36A 111.5 . .
C37 C36 H36A 111.5 . .
C35 C36 H36B 111.5 . .
C37 C36 H36B 111.5 . .
H36A C36 H36B 109.3 . .
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 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O1 C33 C32 105.5(6) . .
O1 C33 H33A 110.6 . .
C32 C33 H33A 110.6 . .
O1 C33 H33B 110.6 . .
C32 C33 H33B 110.6 . .
H33A C33 H33B 108.8 . .
C31 C32 C33 107.6(7) . .
C31 C32 H32A 110.2 . .
C33 C32 H32A 110.2 . .
C31 C32 H32B 110.2 . .
C33 C32 H32B 110.2 . .
H32A C32 H32B 108.5 . .
C9 C10 C11 121.6(6) . .
C9 C10 H10A 119.2 . .
C11 C10 H10A 119.2 . .
C32 C31 C30 107.5(8) . .
C32 C31 H31A 110.2 . .
C30 C31 H31A 110.2 . .
C32 C31 H31B 110.2 . .
C30 C31 H31B 110.2 . .
H31A C31 H31B 108.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C41 C40 C45 116.0(5) . .
C41 C40 B 125.4(6) . .
C45 C40 B 118.6(6) . .
F5 C47 F6 107.1(6) . .
F5 C47 F4 107.6(5) . .
F6 C47 F4 105.9(6) . .
F5 C47 C44 113.1(6) . .
F6 C47 C44 110.9(5) . .
F4 C47 C44 111.8(6) . .
C41 C42 C43 121.2(7) . .
C41 C42 C46 120.1(6) . .
C43 C42 C46 118.7(6) . .
C40 C41 C42 122.6(6) . .
C40 C41 H41A 118.7 . .
C42 C41 H41A 118.7 . .
C44 C45 C40 120.8(6) . .
C44 C45 H45A 119.6 . .
C40 C45 H45A 119.6 . .
C65 C60 C61 114.3(6) . .
C65 C60 B 123.3(6) . .
C61 C60 B 121.3(6) . .
C65 C64 C63 119.7(6) . .
C65 C64 C67 122.1(7) . .
C63 C64 C67 118.1(7) . .
C62 C61 C60 124.0(6) . .
C62 C61 H61A 118.0 . .
C60 C61 H61A 118.0 . .
C71 C70 C75 115.0(6) . .
C71 C70 B 127.3(6) . .
C75 C70 B 117.7(6) . .
C64 C65 C60 123.6(6) . .
C64 C65 H65A 118.2 . .
C60 C65 H65A 118.2 . .
C74 C75 C70 121.0(7) . .
C74 C75 H75A 119.5 . .
C70 C75 H75A 119.5 . .
C53 C52 C51 121.0(7) . .
C53 C52 C56 120.8(7) . .
C51 C52 C56 118.0(7) . .
C43 C44 C45 122.8(6) . .
C43 C44 C47 120.2(6) . .
C45 C44 C47 116.8(6) . .
C55 C50 C51 114.9(6) . .
C55 C50 B 123.5(6) . .
C51 C50 B 121.4(6) . .
C54 C55 C50 122.9(6) . .
C54 C55 H55A 118.6 . .
C50 C55 H55A 118.6 . .
C61 C62 C63 119.2(7) . .
C61 C62 C66 117.5(7) . .
C63 C62 C66 121.6(7) . .
C44 C43 C42 116.4(6) . .
C44 C43 H43A 121.8 . .
C42 C43 H43A 121.8 . .
C75 C74 C73 123.2(7) . .
C75 C74 C77 118.5(7) . .
C73 C74 C77 118.3(7) . .
F11 C56 F12 107.9(8) . .
F11 C56 F10 108.9(8) . .
F12 C56 F10 97.9(7) . .
F11 C56 C52 117.0(7) . .
F12 C56 C52 110.4(7) . .
F10 C56 C52 112.9(8) . .
C71 C72 C73 119.7(7) . .
C71 C72 C76 120.4(7) . .
C73 C72 C76 119.9(7) . .
C50 C51 C52 121.6(7) . .
C50 C51 H51A 106.9 . .
C52 C51 H51A 106.9 . .
C50 C51 H51B 106.9 . .
C52 C51 H51B 106.9 . .
H51A C51 H51B 106.7 . .
C72 C71 C70 124.1(6) . .
C72 C71 H71A 118.0 . .
C70 C71 H71A 118.0 . .
C52 C53 C54 118.6(7) . .
C52 C53 H53A 120.7 . .
C54 C53 H53A 120.7 . .
F24 C67 F23 107.1(11) . .
F24 C67 F25 96.9(9) . .
F23 C67 F25 101.2(11) . .
F24 C67 C64 119.7(11) . .
F23 C67 C64 119.5(8) . .
F25 C67 C64 108.5(11) . .
C64 C63 C62 119.1(6) . .
C64 C63 H63A 120.4 . .
C62 C63 H63A 120.4 . .
C74 C73 C72 117.1(7) . .
C74 C73 H73A 121.5 . .
C72 C73 H73A 121.5 . .
F2 C46 F1 105.5(7) . .
F2 C46 F3 104.3(6) . .
F1 C46 F3 103.9(6) . .
F2 C46 C42 115.3(7) . .
F1 C46 C42 113.7(7) . .
F3 C46 C42 112.9(6) . .
F34 C77 F35 110.3(7) . .
F34 C77 F33 103.5(7) . .
F35 C77 F33 103.6(6) . .
F34 C77 C74 113.9(6) . .
F35 C77 C74 115.4(7) . .
F33 C77 C74 108.9(7) . .
C55 C54 C53 121.0(7) . .
C55 C54 C57 121.5(7) . .
C53 C54 C57 117.5(7) . .
F15 C57 F14 105.4(7) . .
F15 C57 F13 106.5(7) . .
F14 C57 F13 100.0(6) . .
F15 C57 C54 116.9(7) . .
F14 C57 C54 114.8(7) . .
F13 C57 C54 111.6(6) . .
F20 C66 F22 129.8(12) . .
F20 C66 F21 92.0(9) . .
F22 C66 F21 83.6(7) . .
F20 C66 C62 121.0(9) . .
F22 C66 C62 109.2(8) . .
F21 C66 C62 94.5(9) . .
F31 C76 F32 106.0(6) . .
F31 C76 F30 104.7(6) . .
F32 C76 F30 104.3(6) . .
F31 C76 C72 114.6(7) . .
F32 C76 C72 112.9(7) . .
F30 C76 C72 113.4(6) . .
C70 B C40 115.6(6) . .
C70 B C50 108.4(6) . .
C40 B C50 106.5(5) . .
C70 B C60 102.9(5) . .
C40 B C60 111.2(6) . .
C50 B C60 112.3(6) . .
C101 C100 C105 127.0(11) . .
C101 C100 F40 121.2(13) . .
C105 C100 F40 111.8(14) . .
C105 C104 C103 120.3(8) . .
C105 C104 H10B 119.9 . .
C103 C104 H10B 119.9 . .
C100 C105 C104 114.7(9) . .
C100 C105 H10C 122.6 . .
C104 C105 H10C 122.6 . .
C100 C101 C102 117.7(12) . .
C100 C101 H10E 121.2 . .
C102 C101 H10E 121.2 . .
C104 C103 C102 120.9(10) . .
C104 C103 H10F 119.5 . .
C102 C103 H10F 119.5 . .
C101 C102 C103 119.4(12) . .
C101 C102 H10G 120.3 . .
C103 C102 H10G 120.3 . .
C110 C112 C111 137.6(8) 2_656 .
C110 C112 H11C 111.1 2_656 .
C111 C112 H11C 111.2 . .
C112 C110 C111 135.3(9) 2_656 .
C112 C110 H11A 112.5 2_656 .
C111 C110 H11A 112.3 . .
C110 C111 C112 86.9(6) . .
C110 C111 H11D 136.6 . .
C112 C111 H11D 136.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ga N1 1.926(5) .
Ga N2 1.942(5) .
Ga O1 2.105(4) .
Ga Zn 2.3960(11) .
Zn O2 2.021(4) .
Zn Cl1 2.3520(16) .
Zn Cl1 2.3652(18) 2_665
Cl1 Zn 2.3652(18) 2_665
O1 C33 1.441(6) .
O1 C30 1.469(7) .
O2 C37 1.426(6) .
O2 C34 1.458(6) .
N1 C1 1.332(7) .
N1 C6 1.465(7) .
N2 C3 1.320(7) .
N2 C18 1.468(6) .
C5 C3 1.507(7) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C23 C22 1.386(7) .
C23 C18 1.396(8) .
C23 C27 1.505(8) .
C18 C19 1.414(8) .
C12 C7 1.519(7) .
C12 C14 1.530(7) .
C12 C13 1.533(7) .
C12 H12A 1.0000 .
C8 C9 1.370(7) .
C8 C7 1.399(7) .
C8 H8A 0.9500 .
C6 C11 1.404(7) .
C6 C7 1.409(8) .
C1 C2 1.383(7) .
C1 C4 1.521(7) .
C19 C20 1.390(7) .
C19 C24 1.501(8) .
C29 C27 1.516(8) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C24 C25 1.535(7) .
C24 C26 1.549(7) .
C24 H24A 1.0000 .
C9 C10 1.364(8) .
C9 H9A 0.9500 .
C35 C36 1.500(7) .
C35 C34 1.528(7) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C3 C2 1.394(7) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C21 C20 1.374(8) .
C21 C22 1.377(8) .
C21 H21A 0.9500 .
C28 C27 1.557(8) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C37 C36 1.518(6) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C20 H20A 0.9500 .
C11 C10 1.407(7) .
C11 C15 1.496(8) .
C27 H27A 1.0000 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C30 C31 1.477(9) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C15 C17 1.525(8) .
C15 C16 1.530(7) .
C15 H15A 1.0000 .
C2 H2A 0.9500 .
C22 H22A 0.9500 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C33 C32 1.502(8) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C32 C31 1.424(9) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C10 H10A 0.9500 .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
F22 C66 1.278(7) .
F6 C47 1.350(7) .
F4 C47 1.363(7) .
F5 C47 1.317(7) .
F2 C46 1.313(7) .
F1 C46 1.323(8) .
F3 C46 1.339(7) .
F14 C57 1.343(8) .
F15 C57 1.295(8) .
F13 C57 1.348(7) .
F12 C56 1.321(7) .
F10 C56 1.335(8) .
F11 C56 1.227(9) .
F25 C67 1.299(11) .
F23 C67 1.227(8) .
F24 C67 1.196(13) .
F34 C77 1.303(8) .
F33 C77 1.369(8) .
F35 C77 1.318(8) .
F21 C66 1.505(11) .
F20 C66 1.036(9) .
F31 C76 1.327(6) .
F30 C76 1.362(7) .
F32 C76 1.344(7) .
C40 C41 1.367(7) .
C40 C45 1.424(7) .
C40 B 1.643(8) .
C47 C44 1.527(8) .
C42 C41 1.381(7) .
C42 C43 1.401(7) .
C42 C46 1.471(9) .
C41 H41A 0.9500 .
C45 C44 1.372(7) .
C45 H45A 0.9500 .
C60 C65 1.395(7) .
C60 C61 1.404(7) .
C60 B 1.646(9) .
C64 C65 1.375(7) .
C64 C63 1.385(8) .
C64 C67 1.450(10) .
C61 C62 1.367(7) .
C61 H61A 0.9500 .
C70 C71 1.398(7) .
C70 C75 1.411(7) .
C70 B 1.611(9) .
C65 H65A 0.9500 .
C75 C74 1.371(8) .
C75 H75A 0.9500 .
C52 C53 1.358(8) .
C52 C51 1.414(8) .
C52 C56 1.498(9) .
C44 C43 1.370(7) .
C50 C55 1.398(8) .
C50 C51 1.411(7) .
C50 B 1.644(9) .
C55 C54 1.381(8) .
C55 H55A 0.9500 .
C62 C63 1.396(8) .
C62 C66 1.563(12) .
C43 H43A 0.9500 .
C74 C73 1.387(8) .
C74 C77 1.519(9) .
C72 C71 1.385(8) .
C72 C73 1.391(8) .
C72 C76 1.464(9) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C71 H71A 0.9500 .
C53 C54 1.381(8) .
C53 H53A 0.9500 .
C63 H63A 0.9500 .
C73 H73A 0.9500 .
C54 C57 1.468(9) .
F40 C100 1.408(10) .
C100 C101 1.342(13) .
C100 C105 1.377(11) .
C104 C105 1.380(10) .
C104 C103 1.386(9) .
C104 H10B 0.9500 .
C105 H10C 0.9500 .
C101 C102 1.348(13) .
C101 H10E 0.9500 .
C103 C102 1.392(10) .
C103 H10F 0.9500 .
C102 H10G 0.9500 .
C112 C110 1.430(9) 2_656
C112 C111 1.512(10) .
C112 H11C 0.9500 .
C110 C112 1.430(9) 2_656
C110 C111 1.506(9) .
C110 H11A 0.9500 .
C111 H11D 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_4
N1 Ga Zn O2 158.5(2) . .
N2 Ga Zn O2 20.6(2) . .
O1 Ga Zn O2 -90.07(18) . .
N1 Ga Zn Cl1 -82.06(19) . .
N2 Ga Zn Cl1 140.07(18) . .
O1 Ga Zn Cl1 29.41(13) . .
N1 Ga Zn Cl1 39.44(19) . 2_665
N2 Ga Zn Cl1 -98.43(19) . 2_665
O1 Ga Zn Cl1 150.91(12) . 2_665
O2 Zn Cl1 Zn -96.84(13) . 2_665
Cl1 Zn Cl1 Zn 0.0 2_665 2_665
Ga Zn Cl1 Zn 135.16(6) . 2_665
N1 Ga O1 C33 131.8(4) . .
N2 Ga O1 C33 -130.8(4) . .
Zn Ga O1 C33 -0.6(4) . .
N1 Ga O1 C30 -51.4(4) . .
N2 Ga O1 C30 45.9(5) . .
Zn Ga O1 C30 176.1(4) . .
Cl1 Zn O2 C37 -21.3(5) . .
Cl1 Zn O2 C37 -115.2(5) 2_665 .
Ga Zn O2 C37 111.4(5) . .
Cl1 Zn O2 C34 154.0(4) . .
Cl1 Zn O2 C34 60.1(4) 2_665 .
Ga Zn O2 C34 -73.2(4) . .
N2 Ga N1 C1 -19.9(5) . .
O1 Ga N1 C1 76.5(5) . .
Zn Ga N1 C1 -166.5(4) . .
N2 Ga N1 C6 156.9(5) . .
O1 Ga N1 C6 -106.7(5) . .
Zn Ga N1 C6 10.3(5) . .
N1 Ga N2 C3 16.9(5) . .
O1 Ga N2 C3 -79.1(5) . .
Zn Ga N2 C3 164.7(4) . .
N1 Ga N2 C18 -153.8(4) . .
O1 Ga N2 C18 110.2(4) . .
Zn Ga N2 C18 -6.0(5) . .
C22 C23 C18 C19 0.1(9) . .
C27 C23 C18 C19 177.0(6) . .
C22 C23 C18 N2 179.4(5) . .
C27 C23 C18 N2 -3.7(9) . .
C3 N2 C18 C23 104.0(7) . .
Ga N2 C18 C23 -85.1(6) . .
C3 N2 C18 C19 -76.7(7) . .
Ga N2 C18 C19 94.3(6) . .
C1 N1 C6 C11 -90.4(7) . .
Ga N1 C6 C11 92.6(6) . .
C1 N1 C6 C7 89.1(7) . .
Ga N1 C6 C7 -87.9(6) . .
C6 N1 C1 C2 -168.4(6) . .
Ga N1 C1 C2 8.6(8) . .
C6 N1 C1 C4 13.2(8) . .
Ga N1 C1 C4 -169.8(4) . .
C23 C18 C19 C20 1.1(9) . .
N2 C18 C19 C20 -178.3(5) . .
C23 C18 C19 C24 175.5(6) . .
N2 C18 C19 C24 -3.9(9) . .
C20 C19 C24 C25 64.9(7) . .
C18 C19 C24 C25 -109.2(7) . .
C20 C19 C24 C26 -56.9(8) . .
C18 C19 C24 C26 128.9(6) . .
C9 C8 C7 C6 -3.3(9) . .
C9 C8 C7 C12 177.0(6) . .
C11 C6 C7 C8 7.1(9) . .
N1 C6 C7 C8 -172.3(5) . .
C11 C6 C7 C12 -173.1(5) . .
N1 C6 C7 C12 7.4(9) . .
C14 C12 C7 C8 -31.6(8) . .
C13 C12 C7 C8 94.0(7) . .
C14 C12 C7 C6 148.7(6) . .
C13 C12 C7 C6 -85.7(8) . .
C7 C8 C9 C10 -1.6(10) . .
C18 N2 C3 C2 168.3(6) . .
Ga N2 C3 C2 -2.6(9) . .
C18 N2 C3 C5 -10.1(9) . .
Ga N2 C3 C5 179.0(4) . .
C37 O2 C34 C35 -1.4(6) . .
Zn O2 C34 C35 -177.5(4) . .
C36 C35 C34 O2 -22.7(7) . .
C34 O2 C37 C36 24.9(6) . .
Zn O2 C37 C36 -159.3(4) . .
C22 C21 C20 C19 1.0(10) . .
C18 C19 C20 C21 -1.6(9) . .
C24 C19 C20 C21 -176.2(6) . .
C7 C6 C11 C10 -5.9(9) . .
N1 C6 C11 C10 173.6(5) . .
C7 C6 C11 C15 172.3(6) . .
N1 C6 C11 C15 -8.2(9) . .
C22 C23 C27 C29 -51.8(9) . .
C18 C23 C27 C29 131.4(6) . .
C22 C23 C27 C28 69.7(8) . .
C18 C23 C27 C28 -107.1(7) . .
C33 O1 C30 C31 -4.0(8) . .
Ga O1 C30 C31 178.8(5) . .
C6 C11 C15 C17 -109.3(7) . .
C10 C11 C15 C17 68.8(8) . .
C6 C11 C15 C16 126.2(6) . .
C10 C11 C15 C16 -55.7(9) . .
N1 C1 C2 C3 13.3(10) . .
C4 C1 C2 C3 -168.2(6) . .
N2 C3 C2 C1 -16.7(10) . .
C5 C3 C2 C1 161.7(6) . .
C20 C21 C22 C23 0.3(10) . .
C18 C23 C22 C21 -0.8(10) . .
C27 C23 C22 C21 -177.7(6) . .
C34 C35 C36 C37 36.5(6) . .
O2 C37 C36 C35 -38.4(6) . .
C30 O1 C33 C32 14.5(7) . .
Ga O1 C33 C32 -168.3(4) . .
O1 C33 C32 C31 -20.1(9) . .
C8 C9 C10 C11 2.8(11) . .
C6 C11 C10 C9 0.8(10) . .
C15 C11 C10 C9 -177.4(7) . .
C33 C32 C31 C30 17.8(11) . .
O1 C30 C31 C32 -8.8(10) . .
C45 C40 C41 C42 -3.9(9) . .
B C40 C41 C42 177.9(6) . .
C43 C42 C41 C40 1.8(10) . .
C46 C42 C41 C40 -177.1(6) . .
C41 C40 C45 C44 2.8(9) . .
B C40 C45 C44 -178.8(6) . .
C65 C60 C61 C62 -2.0(9) . .
B C60 C61 C62 -170.3(6) . .
C63 C64 C65 C60 0.4(10) . .
C67 C64 C65 C60 177.9(9) . .
C61 C60 C65 C64 0.5(9) . .
B C60 C65 C64 168.5(6) . .
C71 C70 C75 C74 -1.0(9) . .
B C70 C75 C74 -178.0(6) . .
C40 C45 C44 C43 0.4(10) . .
C40 C45 C44 C47 176.1(6) . .
F5 C47 C44 C43 -126.5(6) . .
F6 C47 C44 C43 113.0(7) . .
F4 C47 C44 C43 -4.8(9) . .
F5 C47 C44 C45 57.6(8) . .
F6 C47 C44 C45 -62.8(8) . .
F4 C47 C44 C45 179.3(5) . .
C51 C50 C55 C54 1.1(9) . .
B C50 C55 C54 177.0(5) . .
C60 C61 C62 C63 2.6(10) . .
C60 C61 C62 C66 168.3(7) . .
C45 C44 C43 C42 -2.5(10) . .
C47 C44 C43 C42 -178.1(6) . .
C41 C42 C43 C44 1.5(10) . .
C46 C42 C43 C44 -179.6(6) . .
C70 C75 C74 C73 -1.1(10) . .
C70 C75 C74 C77 -178.8(6) . .
C53 C52 C56 F11 -78.6(10) . .
C51 C52 C56 F11 96.5(10) . .
C53 C52 C56 F12 45.3(10) . .
C51 C52 C56 F12 -139.7(7) . .
C53 C52 C56 F10 153.8(7) . .
C51 C52 C56 F10 -31.2(10) . .
C55 C50 C51 C52 -1.6(9) . .
B C50 C51 C52 -177.6(5) . .
C53 C52 C51 C50 0.9(10) . .
C56 C52 C51 C50 -174.1(6) . .
C73 C72 C71 C70 -1.0(10) . .
C76 C72 C71 C70 179.3(6) . .
C75 C70 C71 C72 2.0(9) . .
B C70 C71 C72 178.7(6) . .
C51 C52 C53 C54 0.3(10) . .
C56 C52 C53 C54 175.2(6) . .
C65 C64 C67 F24 -45.5(18) . .
C63 C64 C67 F24 132.1(12) . .
C65 C64 C67 F23 179.3(10) . .
C63 C64 C67 F23 -3.1(17) . .
C65 C64 C67 F25 64.1(16) . .
C63 C64 C67 F25 -118.2(11) . .
C65 C64 C63 C62 0.2(10) . .
C67 C64 C63 C62 -177.5(9) . .
C61 C62 C63 C64 -1.6(10) . .
C66 C62 C63 C64 -166.7(8) . .
C75 C74 C73 C72 2.2(10) . .
C77 C74 C73 C72 179.9(6) . .
C71 C72 C73 C74 -1.1(9) . .
C76 C72 C73 C74 178.6(6) . .
C41 C42 C46 F2 165.0(6) . .
C43 C42 C46 F2 -13.9(11) . .
C41 C42 C46 F1 -72.9(9) . .
C43 C42 C46 F1 108.2(7) . .
C41 C42 C46 F3 45.2(10) . .
C43 C42 C46 F3 -133.7(7) . .
C75 C74 C77 F34 59.3(10) . .
C73 C74 C77 F34 -118.6(8) . .
C75 C74 C77 F35 -171.7(6) . .
C73 C74 C77 F35 10.5(10) . .
C75 C74 C77 F33 -55.7(9) . .
C73 C74 C77 F33 126.4(7) . .
C50 C55 C54 C53 0.1(10) . .
C50 C55 C54 C57 178.5(6) . .
C52 C53 C54 C55 -0.8(9) . .
C52 C53 C54 C57 -179.3(6) . .
C55 C54 C57 F15 -4.1(10) . .
C53 C54 C57 F15 174.3(7) . .
C55 C54 C57 F14 -128.4(7) . .
C53 C54 C57 F14 50.1(9) . .
C55 C54 C57 F13 118.7(7) . .
C53 C54 C57 F13 -62.8(9) . .
C61 C62 C66 F20 2.9(18) . .
C63 C62 C66 F20 168.2(13) . .
C61 C62 C66 F22 -177.3(7) . .
C63 C62 C66 F22 -12.0(13) . .
C61 C62 C66 F21 97.9(7) . .
C63 C62 C66 F21 -96.8(7) . .
C71 C72 C76 F31 -37.5(9) . .
C73 C72 C76 F31 142.7(6) . .
C71 C72 C76 F32 -159.1(6) . .
C73 C72 C76 F32 21.2(9) . .
C71 C72 C76 F30 82.6(8) . .
C73 C72 C76 F30 -97.2(8) . .
C71 C70 B C40 12.9(9) . .
C75 C70 B C40 -170.4(5) . .
C71 C70 B C50 132.3(6) . .
C75 C70 B C50 -51.0(7) . .
C71 C70 B C60 -108.5(6) . .
C75 C70 B C60 68.1(7) . .
C41 C40 B C70 -140.1(6) . .
C45 C40 B C70 41.8(8) . .
C41 C40 B C50 99.5(8) . .
C45 C40 B C50 -78.7(7) . .
C41 C40 B C60 -23.2(9) . .
C45 C40 B C60 158.6(6) . .
C55 C50 B C70 155.1(5) . .
C51 C50 B C70 -29.2(8) . .
C55 C50 B C40 -79.9(7) . .
C51 C50 B C40 95.8(7) . .
C55 C50 B C60 42.1(8) . .
C51 C50 B C60 -142.2(6) . .
C65 C60 B C70 -83.7(7) . .
C61 C60 B C70 83.5(7) . .
C65 C60 B C40 152.0(6) . .
C61 C60 B C40 -40.8(8) . .
C65 C60 B C50 32.7(9) . .
C61 C60 B C50 -160.1(6) . .
C101 C100 C105 C104 -0.7(15) . .
F40 C100 C105 C104 176.6(8) . .
C103 C104 C105 C100 0.0(12) . .
C105 C100 C101 C102 -0.2(18) . .
F40 C100 C101 C102 -177.2(9) . .
C105 C104 C103 C102 1.4(13) . .
C100 C101 C102 C103 1.6(17) . .
C104 C103 C102 C101 -2.2(14) . .
C112 C110 C111 C112 -4.5(11) 2_656 .
C110 C112 C111 C110 4.7(12) 2_656 .
