 
data_nol2252m 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C27 H36 Cl3 Ga N2' 
_chemical_formula_weight          564.65 
 
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' 
 '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' 
 
_symmetry_cell_setting            ? 
_symmetry_space_group_name_H-M    ? 
 
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' 
 
_cell_length_a                    18.3566(8) 
_cell_length_b                    16.1415(7) 
_cell_length_c                    20.1819(8) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  103.0580(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      5825.3(4) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.288 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2352 
_exptl_absorpt_coefficient_mu     1.237 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       150(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             53288 
_diffrn_reflns_av_R_equivalents   0.0251 
_diffrn_reflns_av_sigmaI/netI     0.0139 
_diffrn_reflns_limit_h_min        -19 
_diffrn_reflns_limit_h_max        19 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        17 
_diffrn_reflns_limit_l_min        -21 
_diffrn_reflns_limit_l_max        21 
_diffrn_reflns_theta_min          2.12 
_diffrn_reflns_theta_max          22.50 
_reflns_number_total              7614 
_reflns_number_gt                 7114 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0407P)²+4.8653P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          7614 
_refine_ls_number_parameters      611 
_refine_ls_number_restraints      548 
_refine_ls_R_factor_all           0.0264 
_refine_ls_R_factor_gt            0.0236 
_refine_ls_wR_factor_ref          0.0687 
_refine_ls_wR_factor_gt           0.0666 
_refine_ls_goodness_of_fit_ref    0.923 
_refine_ls_restrained_S_all       0.898 
_refine_ls_shift/su_max           0.018 
_refine_ls_shift/su_mean          0.002 
 
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 0.021656(12) 0.229909(12) 0.250713(10) 0.02650(8) Uani 1 1 d U . . 
Cl1 Cl -0.08653(3) 0.29083(3) 0.22018(3) 0.04448(15) Uani 1 1 d U . . 
N1 N -0.01317(9) 0.05855(9) 0.29715(8) 0.0253(4) Uani 1 1 d U . . 
C1 C -0.00401(11) 0.08258(12) 0.36791(9) 0.0274(4) Uani 1 1 d U . . 
Cl2 Cl 0.09086(3) 0.26981(3) 0.18198(3) 0.03657(13) Uani 1 1 d U . . 
C2 C 0.06464(12) 0.06556(13) 0.41162(10) 0.0322(5) Uani 1 1 d U . . 
N2 N -0.00594(9) 0.05718(9) 0.19273(8) 0.0241(3) Uani 1 1 d U . . 
Cl3 Cl 0.07677(3) 0.27174(3) 0.35200(3) 0.03912(14) Uani 1 1 d U . . 
C3 C 0.07322(13) 0.09094(15) 0.47870(11) 0.0415(5) Uani 1 1 d U . . 
H3 H 0.1190 0.0802 0.5104 0.050 Uiso 1 1 calc R . . 
C4 C 0.01669(14) 0.13133(15) 0.50004(11) 0.0449(6) Uani 1 1 d U . . 
H4 H 0.0244 0.1497 0.5458 0.054 Uiso 1 1 calc R . . 
C5 C -0.05118(13) 0.14544(14) 0.45553(11) 0.0401(5) Uani 1 1 d U . . 
H5 H -0.0898 0.1726 0.4715 0.048 Uiso 1 1 calc R . . 
C6 C -0.06420(12) 0.12083(12) 0.38786(10) 0.0315(5) Uani 1 1 d U . . 
C7 C 0.12822(12) 0.02291(14) 0.38770(11) 0.0363(5) Uani 1 1 d U . . 
H7 H 0.1083 0.0064 0.3392 0.044 Uiso 1 1 calc R . . 
C8 C 0.19256(16) 0.08160(17) 0.3889(2) 0.0802(10) Uani 1 1 d U . . 
H8A H 0.1744 0.1308 0.3617 0.120 Uiso 1 1 calc R . . 
H8B H 0.2307 0.0539 0.3698 0.120 Uiso 1 1 calc R . . 
H8C H 0.2143 0.0982 0.4359 0.120 Uiso 1 1 calc R . . 
C9 C 0.15409(17) -0.05523(17) 0.42697(15) 0.0663(8) Uani 1 1 d U . . 
H9A H 0.1769 -0.0412 0.4744 0.099 Uiso 1 1 calc R . . 
H9B H 0.1910 -0.0834 0.4066 0.099 Uiso 1 1 calc R . . 
H9C H 0.1112 -0.0919 0.4254 0.099 Uiso 1 1 calc R . . 
C10 C -0.13990(12) 0.13140(14) 0.33943(11) 0.0388(5) Uani 1 1 d U . . 
H10 H -0.1318 0.1340 0.2921 0.047 Uiso 1 1 calc R . . 
C11 C -0.18884(14) 0.05576(17) 0.34415(14) 0.0580(7) Uani 1 1 d U . . 
H11A H -0.1983 0.0525 0.3900 0.087 Uiso 1 1 calc R . . 
H11B H -0.1630 0.0054 0.3348 0.087 Uiso 1 1 calc R . . 
H11C H -0.2365 0.0610 0.3107 0.087 Uiso 1 1 calc R . . 
C12 C -0.17990(16) 0.21060(17) 0.35221(14) 0.0622(7) Uani 1 1 d U . . 
H12A H -0.1465 0.2581 0.3527 0.093 Uiso 1 1 calc R . . 
H12B H -0.1939 0.2067 0.3962 0.093 Uiso 1 1 calc R . . 
H12C H -0.2250 0.2180 0.3160 0.093 Uiso 1 1 calc R . . 
C13 C 0.00260(11) 0.10691(12) 0.24778(9) 0.0240(4) Uani 1 1 d U . . 
C14 C -0.03127(11) -0.02064(12) 0.27325(10) 0.0296(5) Uani 1 1 d U . . 
H14 H -0.0444 -0.0659 0.2983 0.036 Uiso 1 1 calc R . . 
C15 C -0.02676(11) -0.02137(12) 0.20797(10) 0.0286(4) Uani 1 1 d U . . 
H15 H -0.0361 -0.0673 0.1778 0.034 Uiso 1 1 calc R . . 
C16 C 0.00814(11) 0.08088(11) 0.12747(9) 0.0269(4) Uani 1 1 d U . . 
C17 C 0.08052(12) 0.06976(13) 0.11774(10) 0.0330(5) Uani 1 1 d U . . 
C18 C 0.09197(13) 0.09243(14) 0.05435(11) 0.0413(5) Uani 1 1 d U . . 
H18 H 0.1402 0.0860 0.0453 0.050 Uiso 1 1 calc R . . 
C19 C 0.03513(15) 0.12380(15) 0.00473(11) 0.0459(6) Uani 1 1 d U . . 
H19 H 0.0446 0.1389 -0.0381 0.055 Uiso 1 1 calc R . . 
C20 C -0.03559(14) 0.13372(13) 0.01613(10) 0.0409(5) Uani 1 1 d U . . 
H20 H -0.0742 0.1556 -0.0190 0.049 Uiso 1 1 calc R . . 
C21 C -0.05138(12) 0.11223(12) 0.07816(10) 0.0311(5) Uani 1 1 d U . . 
C22 C 0.14332(12) 0.03420(15) 0.17230(11) 0.0405(5) Uani 1 1 d U . . 
H22 H 0.1286 0.0397 0.2169 0.049 Uiso 1 1 calc R . . 
C23 C 0.15384(15) -0.05739(16) 0.15986(14) 0.0562(7) Uani 1 1 d U . . 
H23A H 0.1683 -0.0646 0.1163 0.084 Uiso 1 1 calc R . . 
H23B H 0.1069 -0.0869 0.1586 0.084 Uiso 1 1 calc R . . 
H23C H 0.1931 -0.0798 0.1966 0.084 Uiso 1 1 calc R . . 
C24 C 0.21749(14) 0.08040(17) 0.17808(15) 0.0612(7) Uani 1 1 d U . . 
H24A H 0.2359 0.0712 0.1367 0.092 Uiso 1 1 calc R . . 
H24B H 0.2543 0.0597 0.2176 0.092 Uiso 1 1 calc R . . 
H24C H 0.2096 0.1398 0.1836 0.092 Uiso 1 1 calc R . . 
C25 C -0.12947(12) 0.11984(14) 0.09083(11) 0.0378(5) Uani 1 1 d U . . 
H25 H -0.1245 0.1253 0.1410 0.045 Uiso 1 1 calc R . . 
C26 C -0.17445(13) 0.04096(15) 0.06746(13) 0.0487(6) Uani 1 1 d U . . 
H26A H -0.1814 0.0349 0.0181 0.073 Uiso 1 1 calc R . . 
H26B H -0.2234 0.0448 0.0791 0.073 Uiso 1 1 calc R . . 
H26C H -0.1473 -0.0072 0.0902 0.073 Uiso 1 1 calc R . . 
C27 C -0.17167(14) 0.19578(15) 0.05688(13) 0.0517(6) Uani 1 1 d U . . 
H27A H -0.1415 0.2455 0.0707 0.078 Uiso 1 1 calc R . . 
H27B H -0.2193 0.2008 0.0708 0.078 Uiso 1 1 calc R . . 
H27C H -0.1813 0.1897 0.0074 0.078 Uiso 1 1 calc R . . 
Ga51 Ga 0.467046(12) 0.491803(14) 0.240311(12) 0.03302(8) Uani 1 1 d U . . 
Cl51 Cl 0.58298(3) 0.52804(4) 0.27965(4) 0.0656(2) Uani 1 1 d U . . 
N51 N 0.46756(9) 0.31898(10) 0.29819(8) 0.0275(4) Uani 1 1 d U . . 
C51 C 0.45963(11) 0.34701(12) 0.36442(10) 0.0297(4) Uani 1 1 d U . . 
N52 N 0.47120(9) 0.31366(10) 0.19275(8) 0.0296(4) Uani 1 1 d U . . 
Cl52 Cl 0.43171(4) 0.54099(4) 0.13831(3) 0.05898(18) Uani 1 1 d U . . 
C52 C 0.52437(12) 0.36051(13) 0.41483(11) 0.0360(5) Uani 1 1 d U . . 
Cl53 Cl 0.40012(4) 0.54909(4) 0.30332(4) 0.05689(18) Uani 1 1 d U . . 
C53 C 0.51457(14) 0.38375(15) 0.47867(12) 0.0464(6) Uani 1 1 d U . . 
H53 H 0.5572 0.3931 0.5145 0.056 Uiso 1 1 calc R . . 
C54 C 0.44409(14) 0.39336(15) 0.49060(12) 0.0489(6) Uani 1 1 d U . . 
H54 H 0.4386 0.4094 0.5345 0.059 Uiso 1 1 calc R . . 
C55 C 0.38160(13) 0.38002(14) 0.43966(11) 0.0432(5) Uani 1 1 d U . . 
H55 H 0.3335 0.3874 0.4489 0.052 Uiso 1 1 calc R . . 
C56 C 0.38716(12) 0.35592(13) 0.37487(10) 0.0332(5) Uani 1 1 d U . . 
C57 C 0.60200(12) 0.34754(15) 0.40191(12) 0.0449(6) Uani 1 1 d U . . 
H57 H 0.5977 0.3493 0.3516 0.054 Uiso 1 1 calc R . . 
C58 C 0.63195(14) 0.26190(17) 0.42759(15) 0.0603(7) Uani 1 1 d U . . 
H58A H 0.6357 0.2583 0.4767 0.090 Uiso 1 1 calc R . . 
H58B H 0.6815 0.2537 0.4181 0.090 Uiso 1 1 calc R . . 
H58C H 0.5978 0.2190 0.4044 0.090 Uiso 1 1 calc R . . 
C59 C 0.65667(14) 0.41540(19) 0.43433(15) 0.0660(8) Uani 1 1 d U . . 
H59A H 0.6360 0.4697 0.4185 0.099 Uiso 1 1 calc R . . 
H59B H 0.7045 0.4075 0.4213 0.099 Uiso 1 1 calc R . . 
H59C H 0.6646 0.4124 0.4839 0.099 Uiso 1 1 calc R . . 
C60 C 0.31810(12) 0.33698(14) 0.31963(11) 0.0383(5) Uani 1 1 d U . . 
H60 H 0.3320 0.3434 0.2748 0.046 Uiso 1 1 calc R . . 
C61 C 0.29346(14) 0.24726(15) 0.32503(14) 0.0549(7) Uani 1 1 d U . . 
H61A H 0.3343 0.2099 0.3209 0.082 Uiso 1 1 calc R . . 
H61B H 0.2495 0.2357 0.2885 0.082 Uiso 1 1 calc R . . 
H61C H 0.2808 0.2387 0.3692 0.082 Uiso 1 1 calc R . . 
C62 C 0.25255(13) 0.39486(16) 0.31997(14) 0.0555(7) Uani 1 1 d U . . 
H62A H 0.2339 0.3852 0.3611 0.083 Uiso 1 1 calc R . . 
H62B H 0.2125 0.3841 0.2798 0.083 Uiso 1 1 calc R . . 
H62C H 0.2691 0.4525 0.3192 0.083 Uiso 1 1 calc R . . 
C63 C 0.46492(10) 0.36701(12) 0.24281(9) 0.0266(4) Uani 1 1 d U . . 
C64 C 0.47537(12) 0.23691(12) 0.28251(11) 0.0338(5) Uani 1 1 d U . . 
H64 H 0.4785 0.1912 0.3127 0.041 Uiso 1 1 calc R . . 
C65 C 0.47780(12) 0.23344(12) 0.21677(11) 0.0348(5) Uani 1 1 d U . . 
H65 H 0.4831 0.1850 0.1915 0.042 Uiso 1 1 calc R . . 
C66 C 0.46523(12) 0.33429(12) 0.12180(10) 0.0327(5) Uani 1 1 d U . . 
C67 C 0.53033(12) 0.35737(13) 0.10109(11) 0.0374(5) Uani 1 1 d U . . 
C68 C 0.52167(14) 0.37692(15) 0.03257(12) 0.0465(6) Uani 1 1 d U . . 
H68 H 0.5641 0.3934 0.0162 0.056 Uiso 1 1 calc R . . 
C69 C 0.45300(15) 0.37288(16) -0.01169(12) 0.0517(6) Uani 1 1 d U . . 
H69 H 0.4484 0.3873 -0.0581 0.062 Uiso 1 1 calc R . . 
C70 C 0.39041(14) 0.34807(16) 0.01038(12) 0.0480(6) Uani 1 1 d U . . 
H70 H 0.3435 0.3449 -0.0213 0.058 Uiso 1 1 calc R . . 
C71 C 0.39488(12) 0.32768(13) 0.07807(11) 0.0380(5) Uani 1 1 d U . . 
C72 C 0.60632(13) 0.35881(15) 0.14988(12) 0.0445(6) Uani 1 1 d U . . 
H72 H 0.5978 0.3627 0.1970 0.053 Uiso 1 1 calc R . . 
C73 C 0.65312(16) 0.4340(2) 0.13887(16) 0.0737(9) Uani 1 1 d U . . 
H73A H 0.6649 0.4303 0.0939 0.110 Uiso 1 1 calc R . . 
H73B H 0.6997 0.4350 0.1740 0.110 Uiso 1 1 calc R . . 
H73C H 0.6248 0.4849 0.1416 0.110 Uiso 1 1 calc R . . 
C74 C 0.64863(16) 0.27845(19) 0.14533(16) 0.0702(8) Uani 1 1 d U . . 
H74A H 0.6570 0.2724 0.0993 0.105 Uiso 1 1 calc R . . 
H74B H 0.6192 0.2314 0.1555 0.105 Uiso 1 1 calc R . . 
H74C H 0.6969 0.2799 0.1782 0.105 Uiso 1 1 calc R . . 
C75 C 0.32539(12) 0.30228(15) 0.10265(12) 0.0426(5) Uani 1 1 d U . . 
H75 H 0.3427 0.2745 0.1478 0.051 Uiso 1 1 calc R . . 
C76 C 0.27668(16) 0.24060(18) 0.05521(15) 0.0681(8) Uani 1 1 d U . . 
H76A H 0.2596 0.2656 0.0101 0.102 Uiso 1 1 calc R . . 
H76B H 0.2333 0.2259 0.0735 0.102 Uiso 1 1 calc R . . 
H76C H 0.3058 0.1906 0.0515 0.102 Uiso 1 1 calc R . . 
C77 C 0.27982(14) 0.37760(17) 0.11347(14) 0.0581(7) Uani 1 1 d U . . 
H77A H 0.3105 0.4141 0.1475 0.087 Uiso 1 1 calc R . . 
H77B H 0.2358 0.3597 0.1295 0.087 Uiso 1 1 calc R . . 
H77C H 0.2638 0.4077 0.0704 0.087 Uiso 1 1 calc R . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
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 C13 2.0146(19) . ? 
Ga1 Cl3 2.1733(5) . ? 
Ga1 Cl1 2.1766(6) . ? 
Ga1 Cl2 2.1793(5) . ? 
N1 C13 1.348(2) . ? 
N1 C14 1.380(3) . ? 
N1 C1 1.453(2) . ? 
C1 C2 1.393(3) . ? 
C1 C6 1.402(3) . ? 
C2 C3 1.389(3) . ? 
C2 C7 1.524(3) . ? 
N2 C13 1.351(2) . ? 
N2 C15 1.379(2) . ? 
N2 C16 1.450(2) . ? 
C3 C4 1.375(3) . ? 
C4 C5 1.380(3) . ? 
C5 C6 1.390(3) . ? 
C6 C10 1.517(3) . ? 
C7 C9 1.508(3) . ? 
C7 C8 1.510(3) . ? 
C10 C12 1.525(3) . ? 
C10 C11 1.531(3) . ? 
C14 C15 1.339(3) . ? 
C16 C21 1.396(3) . ? 
C16 C17 1.398(3) . ? 
C17 C18 1.392(3) . ? 
C17 C22 1.516(3) . ? 
C18 C19 1.370(3) . ? 
C19 C20 1.378(3) . ? 
C20 C21 1.391(3) . ? 
C21 C25 1.517(3) . ? 
C22 C23 1.519(3) . ? 
C22 C24 1.534(3) . ? 
C25 C27 1.527(3) . ? 
C25 C26 1.533(3) . ? 
Ga51 C63 2.016(2) . ? 
Ga51 Cl52 2.1646(7) . ? 
Ga51 Cl53 2.1650(6) . ? 
Ga51 Cl51 2.1766(7) . ? 
N51 C63 1.352(2) . ? 
N51 C64 1.377(3) . ? 
N51 C51 1.449(3) . ? 
C51 C52 1.396(3) . ? 
C51 C56 1.401(3) . ? 
N52 C63 1.352(2) . ? 
N52 C65 1.378(3) . ? 
N52 C66 1.450(3) . ? 
C52 C53 1.392(3) . ? 
C52 C57 1.520(3) . ? 
C53 C54 1.377(3) . ? 
C54 C55 1.373(3) . ? 
C55 C56 1.390(3) . ? 
C56 C60 1.518(3) . ? 
C57 C58 1.534(4) . ? 
C57 C59 1.529(3) . ? 
C60 C62 1.525(3) . ? 
C60 C61 1.528(3) . ? 
C64 C65 1.339(3) . ? 
C66 C71 1.394(3) . ? 
C66 C67 1.403(3) . ? 
C67 C68 1.392(3) . ? 
C67 C72 1.515(3) . ? 
C68 C69 1.372(4) . ? 
C69 C70 1.382(3) . ? 
C70 C71 1.389(3) . ? 
C71 C75 1.526(3) . ? 
C72 C74 1.525(4) . ? 
C72 C73 1.532(4) . ? 
C75 C77 1.519(3) . ? 
C75 C76 1.523(3) . ? 
 
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 
C13 Ga1 Cl3 112.01(5) . . ? 
C13 Ga1 Cl1 107.19(6) . . ? 
Cl3 Ga1 Cl1 109.09(2) . . ? 
C13 Ga1 Cl2 113.26(5) . . ? 
Cl3 Ga1 Cl2 107.00(2) . . ? 
Cl1 Ga1 Cl2 108.19(2) . . ? 
C13 N1 C14 110.67(16) . . ? 
C13 N1 C1 125.16(16) . . ? 
C14 N1 C1 123.79(15) . . ? 
C2 C1 C6 124.34(18) . . ? 
C2 C1 N1 117.21(17) . . ? 
C6 C1 N1 118.44(17) . . ? 
C3 C2 C1 116.5(2) . . ? 
C3 C2 C7 121.03(19) . . ? 
C1 C2 C7 122.45(18) . . ? 
C13 N2 C15 110.46(15) . . ? 
C13 N2 C16 125.38(15) . . ? 
C15 N2 C16 124.10(15) . . ? 
C4 C3 C2 121.2(2) . . ? 
C3 C4 C5 120.6(2) . . ? 
C4 C5 C6 121.4(2) . . ? 
C5 C6 C1 115.9(2) . . ? 
C5 C6 C10 122.00(19) . . ? 
C1 C6 C10 122.09(18) . . ? 
C9 C7 C8 111.4(2) . . ? 
C9 C7 C2 112.59(18) . . ? 
C8 C7 C2 111.32(19) . . ? 
C6 C10 C12 113.0(2) . . ? 
C6 C10 C11 109.58(18) . . ? 
C12 C10 C11 110.3(2) . . ? 
N1 C13 N2 105.04(16) . . ? 
N1 C13 Ga1 127.87(13) . . ? 
N2 C13 Ga1 126.65(13) . . ? 
C15 C14 N1 106.77(17) . . ? 
C14 C15 N2 107.05(17) . . ? 
C21 C16 C17 124.19(18) . . ? 
C21 C16 N2 118.15(17) . . ? 
C17 C16 N2 117.65(17) . . ? 
C18 C17 C16 116.2(2) . . ? 
C18 C17 C22 121.30(19) . . ? 
C16 C17 C22 122.52(18) . . ? 
C19 C18 C17 121.4(2) . . ? 
C18 C19 C20 120.8(2) . . ? 
C19 C20 C21 121.1(2) . . ? 
C20 C21 C16 116.3(2) . . ? 
C20 C21 C25 121.90(19) . . ? 
C16 C21 C25 121.76(18) . . ? 
C23 C22 C17 110.66(19) . . ? 
C23 C22 C24 110.0(2) . . ? 
C17 C22 C24 112.8(2) . . ? 
C21 C25 C27 113.10(19) . . ? 
C21 C25 C26 110.17(18) . . ? 
C27 C25 C26 110.20(19) . . ? 
C63 Ga51 Cl52 112.77(6) . . ? 
C63 Ga51 Cl53 113.29(5) . . ? 
Cl52 Ga51 Cl53 108.30(3) . . ? 
C63 Ga51 Cl51 106.40(6) . . ? 
Cl52 Ga51 Cl51 107.85(3) . . ? 
Cl53 Ga51 Cl51 107.99(3) . . ? 
C63 N51 C64 110.36(16) . . ? 
C63 N51 C51 126.23(16) . . ? 
C64 N51 C51 123.34(16) . . ? 
C52 C51 C56 123.73(19) . . ? 
C52 C51 N51 118.33(17) . . ? 
C56 C51 N51 117.89(17) . . ? 
C63 N52 C65 110.56(16) . . ? 
C63 N52 C66 126.26(16) . . ? 
C65 N52 C66 122.96(17) . . ? 
C53 C52 C51 116.7(2) . . ? 
C53 C52 C57 121.2(2) . . ? 
C51 C52 C57 122.02(19) . . ? 
C54 C53 C52 121.0(2) . . ? 
C55 C54 C53 120.7(2) . . ? 
C54 C55 C56 121.4(2) . . ? 
C55 C56 C51 116.4(2) . . ? 
C55 C56 C60 121.38(19) . . ? 
C51 C56 C60 122.18(18) . . ? 
C52 C57 C58 110.2(2) . . ? 
C52 C57 C59 112.2(2) . . ? 
C58 C57 C59 110.5(2) . . ? 
C56 C60 C62 113.71(19) . . ? 
C56 C60 C61 110.48(19) . . ? 
C62 C60 C61 109.49(19) . . ? 
N52 C63 N51 105.03(16) . . ? 
N52 C63 Ga51 127.76(14) . . ? 
N51 C63 Ga51 126.62(14) . . ? 
C65 C64 N51 107.24(17) . . ? 
C64 C65 N52 106.82(18) . . ? 
C71 C66 C67 124.15(19) . . ? 
C71 C66 N52 117.41(18) . . ? 
C67 C66 N52 118.42(19) . . ? 
C68 C67 C66 116.3(2) . . ? 
C68 C67 C72 121.6(2) . . ? 
C66 C67 C72 122.11(19) . . ? 
C69 C68 C67 121.2(2) . . ? 
C68 C69 C70 120.8(2) . . ? 
C69 C70 C71 121.1(2) . . ? 
C70 C71 C66 116.4(2) . . ? 
C70 C71 C75 121.0(2) . . ? 
C66 C71 C75 122.53(19) . . ? 
C67 C72 C74 110.8(2) . . ? 
C67 C72 C73 112.5(2) . . ? 
C74 C72 C73 110.8(2) . . ? 
C77 C75 C71 111.1(2) . . ? 
C77 C75 C76 110.5(2) . . ? 
C71 C75 C76 112.7(2) . . ? 
 
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              22.50 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    0.456 
_refine_diff_density_min   -0.316 
_refine_diff_density_rms    0.037 
