data_import _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common (TPP)GaOH2 _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C44 H32 Cl Ga N4 O6' _chemical_formula_weight 817.91 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' '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 monoclinic _symmetry_space_group_name_H-M P21/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 10.2941(3) _cell_length_b 8.0385(3) _cell_length_c 21.5792(7) _cell_angle_alpha 90 _cell_angle_beta 98.2436(19) _cell_angle_gamma 90 _cell_volume 1767.21(10) _cell_formula_units_Z 2 _cell_measurement_temperature 130(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour purple _exptl_crystal_size_max 0.21 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.14 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.537 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 840 _exptl_absorpt_coefficient_mu 0.914 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.8312 _exptl_absorpt_correction_T_max 0.8827 _exptl_absorpt_process_details HKL-2000 _exptl_special_details ; ? ; _diffrn_ambient_temperature 130(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 7537 _diffrn_reflns_av_R_equivalents 0.0586 _diffrn_reflns_av_sigmaI/netI 0.0972 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -28 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_theta_min 3.17 _diffrn_reflns_theta_max 28.33 _reflns_number_total 4233 _reflns_number_gt 2469 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ 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/[\s^2^(Fo^2^)+(0.0936P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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 4233 _refine_ls_number_parameters 274 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1140 _refine_ls_R_factor_gt 0.0595 _refine_ls_wR_factor_ref 0.1709 _refine_ls_wR_factor_gt 0.1486 _refine_ls_goodness_of_fit_ref 0.993 _refine_ls_restrained_S_all 0.993 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 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 C1 C 0.1124(3) 0.2228(5) 0.40579(16) 0.0302(8) Uani 1 1 d . . . C2 C 0.1799(4) 0.3764(5) 0.40235(16) 0.0349(9) Uani 1 1 d . . . H2 H 0.2013 0.4270 0.3653 0.042 Uiso 1 1 calc R . . C3 C 0.2081(4) 0.4376(5) 0.46100(16) 0.0330(8) Uani 1 1 d . . . H3 H 0.2522 0.5390 0.4728 0.040 Uiso 1 1 calc R . . C4 C 0.1590(3) 0.3205(5) 0.50208(16) 0.0301(8) Uani 1 1 d . . . C5 C 0.1737(3) 0.3355(5) 0.56733(15) 0.0289(8) Uani 1 1 d . . . C6 C 0.1209(3) 0.2257(5) 0.60706(15) 0.0304(8) Uani 1 1 d . . . C7 C 0.1345(3) 0.2392(5) 0.67400(16) 0.0324(8) Uani 1 1 d . . . H7 H 0.1835 0.3213 0.6990 0.039 Uiso 1 1 calc R . . C8 C 0.0655(4) 0.1153(5) 0.69490(15) 0.0326(9) Uani 1 1 d . . . H8 H 0.0552 0.0954 0.7373 0.039 Uiso 1 1 calc R . . C9 C 0.0099(4) 0.0178(4) 0.64207(15) 0.0287(8) Uani 1 1 d . . . C10 C -0.0649(4) -0.1242(5) 0.64515(15) 0.0318(8) Uani 1 1 d . . . C11 C 0.2541(4) 0.4795(4) 0.59635(16) 0.0302(8) Uani 1 1 d . . . C12 C 0.1988(4) 0.6008(5) 0.62924(16) 0.0328(9) Uani 1 1 d . . . H12 H 0.1091 0.5928 0.6347 0.039 Uiso 1 1 calc R . . C13 C 0.2737(4) 0.7353(5) 0.65446(16) 0.0383(9) Uani 1 1 d . . . H13 H 0.2345 0.8192 0.6767 0.046 Uiso 1 1 calc R . . C14 C 0.4045(4) 0.7476(5) 0.64739(17) 0.0413(10) Uani 1 1 d . . . H14 H 0.4555 0.8394 0.6645 0.050 Uiso 1 1 calc R . . C15 C 0.4592(4) 0.6268(6) 0.6156(2) 0.0447(11) Uani 1 1 d . . . H15 H 0.5496 0.6344 0.6114 0.054 Uiso 1 1 calc R . . C16 C 0.3867(4) 0.4924(5) 0.58921(19) 0.0381(9) Uani 1 1 d . . . H16 H 0.4266 0.4102 0.5666 0.046 Uiso 1 1 calc R . . C17 C -0.1004(4) -0.1754(5) 0.70814(16) 0.0327(8) Uani 1 1 d . . . C18 C -0.2277(4) -0.1530(5) 0.71987(17) 0.0361(9) Uani 1 1 d . . . H18 H -0.2925 -0.1111 0.6879 0.043 Uiso 1 1 calc R . . C19 C -0.2612(4) -0.1915(5) 0.77798(18) 0.0427(10) Uani 1 1 d . . . H19 H -0.3480 -0.1714 0.7863 0.051 Uiso 1 1 calc R . . C20 C -0.1693(5) -0.2590(5) 0.82413(18) 0.0482(11) Uani 1 1 d . . . H20 H -0.1931 -0.2860 0.8639 0.058 Uiso 1 1 calc R . . C21 C -0.0440(4) -0.2866(5) 0.81235(17) 0.0450(11) Uani 1 1 d . . . H21 H 0.0188 -0.3348 0.8438 0.054 Uiso 1 1 calc R . . C22 C -0.0076(4) -0.2444(5) 0.75431(16) 0.0382(9) Uani 1 1 d . . . H22 H 0.0798 -0.2626 0.7465 0.046 Uiso 1 1 calc R . . N1 N 0.0967(3) 0.1910(4) 0.46814(12) 0.0287(7) Uani 1 1 d . . . N2 N 0.0458(3) 0.0872(4) 0.58825(12) 0.0296(7) Uani 1 1 d . . . O1 O -0.1735(3) 0.1388(4) 0.49116(12) 0.0360(7) Uani 1 1 d . . . O2 O -0.5448(7) -0.2114(10) 0.4899(3) 0.107(2) Uani 0.67 1 d P . . O3 O -0.4065(6) -0.0295(8) 0.4626(4) 0.106(3) Uani 0.67 1 d P . . O4 O -0.5937(9) 0.0368(9) 0.4499(4) 0.132(3) Uani 0.67 1 d P . . Cl1 Cl -0.5001(4) 0.0454(2) 0.50145(17) 0.0402(6) Uani 0.50 1 d P . . Ga1 Ga 0.0000 0.0000 0.5000 0.0281(2) Uani 1 2 d S . . H1A H -0.182(4) 0.192(6) 0.467(2) 0.042 Uiso 1 1 d . . . H1B H -0.262(4) 0.067(6) 0.4912(17) 0.042 Uiso 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.0332(19) 0.031(2) 0.0279(18) 0.0031(15) 0.0112(14) -0.0002(16) C2 0.045(2) 0.033(2) 0.0293(19) 0.0051(16) 0.0120(15) -0.0030(18) C3 0.042(2) 0.028(2) 0.0311(19) 0.0005(16) 0.0127(16) -0.0032(17) C4 0.0314(19) 0.030(2) 0.0302(18) 0.0032(15) 0.0098(14) 0.0005(16) C5 0.0317(19) 0.027(2) 0.0286(18) -0.0001(15) 0.0060(14) 0.0016(16) C6 0.0325(19) 0.031(2) 0.0288(18) -0.0002(15) 0.0100(14) 0.0012(16) C7 0.037(2) 0.037(2) 0.0236(17) -0.0005(15) 0.0061(14) -0.0037(17) C8 0.042(2) 0.036(2) 0.0217(17) -0.0011(15) 0.0098(14) -0.0011(18) C9 0.037(2) 0.029(2) 0.0226(16) 0.0013(14) 0.0117(14) -0.0003(16) C10 0.036(2) 0.034(2) 0.0270(18) 0.0002(15) 0.0104(14) 0.0010(17) C11 0.0322(19) 0.032(2) 0.0267(17) 0.0070(15) 0.0041(14) -0.0002(16) C12 0.032(2) 0.036(2) 0.0303(19) 0.0002(16) 0.0049(15) -0.0039(17) C13 0.051(2) 0.038(2) 0.0251(18) -0.0016(16) 0.0041(16) -0.0063(19) C14 0.049(3) 0.038(3) 0.034(2) 0.0068(18) -0.0026(17) -0.013(2) C15 0.033(2) 0.047(3) 0.054(2) 0.012(2) 0.0049(18) -0.010(2) C16 0.032(2) 0.036(2) 0.048(2) 0.0059(19) 0.0109(17) 0.0028(19) C17 0.045(2) 0.027(2) 0.0270(18) -0.0002(15) 0.0091(15) -0.0055(17) C18 0.045(2) 0.032(2) 0.0336(19) -0.0016(16) 0.0147(16) -0.0062(18) C19 0.055(3) 0.037(2) 0.042(2) -0.0029(19) 0.0258(19) -0.007(2) C20 0.083(3) 0.038(3) 0.028(2) -0.0035(18) 0.023(2) -0.019(2) C21 0.068(3) 0.038(3) 0.029(2) 0.0021(17) 0.0065(19) -0.008(2) C22 0.044(2) 0.041(3) 0.031(2) 0.0003(17) 0.0117(16) -0.0071(19) N1 0.0329(16) 0.0281(18) 0.0265(15) -0.0008(12) 0.0088(12) -0.0037(13) N2 0.0367(17) 0.0289(18) 0.0246(14) -0.0003(13) 0.0094(12) -0.0046(14) O1 0.0404(16) 0.0370(18) 0.0324(15) 0.0042(11) 0.0109(12) 0.0010(13) O2 0.138(6) 0.113(6) 0.072(4) -0.018(4) 0.021(4) -0.030(5) O3 0.072(4) 0.089(5) 0.172(7) -0.062(5) 0.066(5) -0.039(3) O4 0.135(7) 0.078(5) 0.161(8) 0.003(5) -0.055(6) -0.024(4) Cl1 0.0380(9) 0.0403(17) 0.0453(10) -0.003(2) 0.0161(7) -0.015(2) Ga1 0.0344(3) 0.0282(3) 0.0233(3) 0.0011(2) 0.0095(2) -0.0017(3) _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 C1 C10 1.386(5) 3_556 ? C1 N1 1.401(4) . ? C1 C2 1.425(5) . ? C2 C3 1.350(5) . ? C2 H2 0.9500 . ? C3 C4 1.433(5) . ? C3 H3 0.9500 . ? C4 N1 1.377(5) . ? C4 C5 1.400(5) . ? C5 C6 1.393(5) . ? C5 C11 1.506(5) . ? C6 N2 1.383(5) . ? C6 C7 1.435(5) . ? C7 C8 1.339(5) . ? C7 H7 0.9500 . ? C8 C9 1.433(5) . ? C8 H8 0.9500 . ? C9 C10 1.384(5) . ? C9 N2 1.386(4) . ? C10 C1 1.386(5) 3_556 ? C10 C17 1.514(5) . ? C11 C12 1.377(5) . ? C11 C16 1.398(5) . ? C12 C13 1.392(5) . ? C12 H12 0.9500 . ? C13 C14 1.380(5) . ? C13 H13 0.9500 . ? C14 C15 1.356(6) . ? C14 H14 0.9500 . ? C15 C16 1.388(6) . ? C15 H15 0.9500 . ? C16 H16 0.9500 . ? C17 C18 1.382(5) . ? C17 C22 1.393(5) . ? C18 C19 1.382(5) . ? C18 H18 0.9500 . ? C19 C20 1.382(6) . ? C19 H19 0.9500 . ? C20 C21 1.369(6) . ? C20 H20 0.9500 . ? C21 C22 1.399(5) . ? C21 H21 0.9500 . ? C22 H22 0.9500 . ? N1 Ga1 2.005(3) . ? N2 Ga1 2.021(3) . ? O1 Ga1 2.091(3) . ? O1 H1A 0.67(4) . ? O1 H1B 1.08(4) . ? O2 Cl1 1.416(8) 3_456 ? O2 Cl1 2.122(8) . ? O3 Cl1 1.325(7) 3_456 ? O3 Cl1 1.492(7) . ? O4 Cl1 1.365(8) . ? O4 Cl1 1.476(8) 3_456 ? Cl1 Cl1 0.732(4) 3_456 ? Cl1 O3 1.325(7) 3_456 ? Cl1 O2 1.416(8) 3_456 ? Cl1 O4 1.476(8) 3_456 ? Ga1 N1 2.005(3) 3_556 ? Ga1 N2 2.021(3) 3_556 ? Ga1 O1 2.091(3) 3_556 ? 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 C10 C1 N1 125.5(3) 3_556 . ? C10 C1 C2 125.0(3) 3_556 . ? N1 C1 C2 109.4(3) . . ? C3 C2 C1 107.9(3) . . ? C3 C2 H2 126.0 . . ? C1 C2 H2 126.0 . . ? C2 C3 C4 107.1(3) . . ? C2 C3 H3 126.5 . . ? C4 C3 H3 126.5 . . ? N1 C4 C5 125.1(3) . . ? N1 C4 C3 110.2(3) . . ? C5 C4 C3 124.7(3) . . ? C6 C5 C4 124.7(3) . . ? C6 C5 C11 118.0(3) . . ? C4 C5 C11 117.2(3) . . ? N2 C6 C5 125.4(3) . . ? N2 C6 C7 109.0(3) . . ? C5 C6 C7 125.6(3) . . ? C8 C7 C6 107.7(3) . . ? C8 C7 H7 126.2 . . ? C6 C7 H7 126.2 . . ? C7 C8 C9 108.0(3) . . ? C7 C8 H8 126.0 . . ? C9 C8 H8 126.0 . . ? C10 C9 N2 126.1(3) . . ? C10 C9 C8 125.0(3) . . ? N2 C9 C8 108.8(3) . . ? C9 C10 C1 124.7(3) . 3_556 ? C9 C10 C17 118.4(3) . . ? C1 C10 C17 117.0(3) 3_556 . ? C12 C11 C16 119.1(3) . . ? C12 C11 C5 121.0(3) . . ? C16 C11 C5 119.9(3) . . ? C11 C12 C13 120.3(4) . . ? C11 C12 H12 119.8 . . ? C13 C12 H12 119.8 . . ? C14 C13 C12 120.4(4) . . ? C14 C13 H13 119.8 . . ? C12 C13 H13 119.8 . . ? C15 C14 C13 119.1(4) . . ? C15 C14 H14 120.4 . . ? C13 C14 H14 120.4 . . ? C14 C15 C16 121.8(4) . . ? C14 C15 H15 119.1 . . ? C16 C15 H15 119.1 . . ? C15 C16 C11 119.2(4) . . ? C15 C16 H16 120.4 . . ? C11 C16 H16 120.4 . . ? C18 C17 C22 119.5(3) . . ? C18 C17 C10 119.1(3) . . ? C22 C17 C10 121.4(3) . . ? C17 C18 C19 120.2(4) . . ? C17 C18 H18 119.9 . . ? C19 C18 H18 119.9 . . ? C18 C19 C20 120.5(4) . . ? C18 C19 H19 119.7 . . ? C20 C19 H19 119.7 . . ? C21 C20 C19 119.7(3) . . ? C21 C20 H20 120.1 . . ? C19 C20 H20 120.1 . . ? C20 C21 C22 120.5(4) . . ? C20 C21 H21 119.8 . . ? C22 C21 H21 119.8 . . ? C17 C22 C21 119.5(4) . . ? C17 C22 H22 120.2 . . ? C21 C22 H22 120.2 . . ? C4 N1 C1 105.3(3) . . ? C4 N1 Ga1 127.8(2) . . ? C1 N1 Ga1 126.9(2) . . ? C6 N2 C9 106.5(3) . . ? C6 N2 Ga1 126.9(2) . . ? C9 N2 Ga1 126.6(2) . . ? Ga1 O1 H1A 115(4) . . ? Ga1 O1 H1B 115(2) . . ? H1A O1 H1B 109(4) . . ? Cl1 O2 Cl1 6.5(3) 3_456 . ? Cl1 O3 Cl1 29.4(2) 3_456 . ? Cl1 O4 Cl1 29.5(2) . 3_456 ? Cl1 Cl1 O3 88.0(6) 3_456 3_456 ? Cl1 Cl1 O4 83.7(6) 3_456 . ? O3 Cl1 O4 89.2(6) 3_456 . ? Cl1 Cl1 O2 161.0(8) 3_456 3_456 ? O3 Cl1 O2 105.3(4) 3_456 3_456 ? O4 Cl1 O2 109.5(5) . 3_456 ? Cl1 Cl1 O4 66.8(6) 3_456 3_456 ? O3 Cl1 O4 89.7(6) 3_456 3_456 ? O4 Cl1 O4 150.5(2) . 3_456 ? O2 Cl1 O4 99.2(4) 3_456 3_456 ? Cl1 Cl1 O3 62.6(6) 3_456 . ? O3 Cl1 O3 150.6(2) 3_456 . ? O4 Cl1 O3 87.6(6) . . ? O2 Cl1 O3 103.3(4) 3_456 . ? O4 Cl1 O3 79.1(5) 3_456 . ? Cl1 Cl1 O2 12.5(5) 3_456 . ? O3 Cl1 O2 79.1(3) 3_456 . ? O4 Cl1 O2 74.9(4) . . ? O2 Cl1 O2 173.5(3) 3_456 . ? O4 Cl1 O2 75.9(3) 3_456 . ? O3 Cl1 O2 71.8(3) . . ? N1 Ga1 N1 180.0 3_556 . ? N1 Ga1 N2 89.84(11) 3_556 3_556 ? N1 Ga1 N2 90.16(11) . 3_556 ? N1 Ga1 N2 90.16(11) 3_556 . ? N1 Ga1 N2 89.84(11) . . ? N2 Ga1 N2 180.000(1) 3_556 . ? N1 Ga1 O1 91.14(12) 3_556 3_556 ? N1 Ga1 O1 88.86(12) . 3_556 ? N2 Ga1 O1 88.97(11) 3_556 3_556 ? N2 Ga1 O1 91.03(11) . 3_556 ? N1 Ga1 O1 88.86(12) 3_556 . ? N1 Ga1 O1 91.14(12) . . ? N2 Ga1 O1 91.03(11) 3_556 . ? N2 Ga1 O1 88.97(11) . . ? O1 Ga1 O1 180.000(1) 3_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_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C10 C1 C2 C3 178.7(4) 3_556 . . . ? N1 C1 C2 C3 1.2(4) . . . . ? C1 C2 C3 C4 0.6(4) . . . . ? C2 C3 C4 N1 -2.2(4) . . . . ? C2 C3 C4 C5 177.3(3) . . . . ? N1 C4 C5 C6 -3.7(6) . . . . ? C3 C4 C5 C6 177.0(4) . . . . ? N1 C4 C5 C11 175.3(3) . . . . ? C3 C4 C5 C11 -4.0(5) . . . . ? C4 C5 C6 N2 -0.6(6) . . . . ? C11 C5 C6 N2 -179.5(3) . . . . ? C4 C5 C6 C7 -179.8(4) . . . . ? C11 C5 C6 C7 1.2(5) . . . . ? N2 C6 C7 C8 -2.0(4) . . . . ? C5 C6 C7 C8 177.3(3) . . . . ? C6 C7 C8 C9 1.6(4) . . . . ? C7 C8 C9 C10 178.1(4) . . . . ? C7 C8 C9 N2 -0.7(4) . . . . ? N2 C9 C10 C1 2.2(6) . . . 3_556 ? C8 C9 C10 C1 -176.4(4) . . . 3_556 ? N2 C9 C10 C17 -176.6(3) . . . . ? C8 C9 C10 C17 4.8(6) . . . . ? C6 C5 C11 C12 -63.5(5) . . . . ? C4 C5 C11 C12 117.4(4) . . . . ? C6 C5 C11 C16 117.4(4) . . . . ? C4 C5 C11 C16 -61.6(4) . . . . ? C16 C11 C12 C13 0.6(5) . . . . ? C5 C11 C12 C13 -178.4(3) . . . . ? C11 C12 C13 C14 -0.7(5) . . . . ? C12 C13 C14 C15 -0.1(5) . . . . ? C13 C14 C15 C16 1.0(6) . . . . ? C14 C15 C16 C11 -1.1(6) . . . . ? C12 C11 C16 C15 0.2(5) . . . . ? C5 C11 C16 C15 179.3(3) . . . . ? C9 C10 C17 C18 106.6(4) . . . . ? C1 C10 C17 C18 -72.3(5) 3_556 . . . ? C9 C10 C17 C22 -73.4(5) . . . . ? C1 C10 C17 C22 107.7(4) 3_556 . . . ? C22 C17 C18 C19 3.0(6) . . . . ? C10 C17 C18 C19 -177.0(3) . . . . ? C17 C18 C19 C20 -2.6(6) . . . . ? C18 C19 C20 C21 0.5(6) . . . . ? C19 C20 C21 C22 1.1(6) . . . . ? C18 C17 C22 C21 -1.4(6) . . . . ? C10 C17 C22 C21 178.6(4) . . . . ? C20 C21 C22 C17 -0.7(6) . . . . ? C5 C4 N1 C1 -176.6(3) . . . . ? C3 C4 N1 C1 2.8(4) . . . . ? C5 C4 N1 Ga1 4.8(5) . . . . ? C3 C4 N1 Ga1 -175.8(2) . . . . ? C10 C1 N1 C4 -179.9(3) 3_556 . . . ? C2 C1 N1 C4 -2.5(4) . . . . ? C10 C1 N1 Ga1 -1.3(5) 3_556 . . . ? C2 C1 N1 Ga1 176.2(2) . . . . ? C5 C6 N2 C9 -177.7(3) . . . . ? C7 C6 N2 C9 1.6(4) . . . . ? C5 C6 N2 Ga1 3.3(5) . . . . ? C7 C6 N2 Ga1 -177.4(2) . . . . ? C10 C9 N2 C6 -179.4(4) . . . . ? C8 C9 N2 C6 -0.6(4) . . . . ? C10 C9 N2 Ga1 -0.4(5) . . . . ? C8 C9 N2 Ga1 178.4(2) . . . . ? Cl1 O4 Cl1 O3 -88.1(6) 3_456 . . 3_456 ? Cl1 O4 Cl1 O2 165.9(8) 3_456 . . 3_456 ? Cl1 O4 Cl1 O4 0.0 3_456 . . 3_456 ? Cl1 O4 Cl1 O3 62.7(6) 3_456 . . . ? Cl1 O4 Cl1 O2 -9.1(5) 3_456 . . . ? Cl1 O3 Cl1 O3 0.000(1) 3_456 . . 3_456 ? Cl1 O3 Cl1 O4 -84.1(7) 3_456 . . . ? Cl1 O3 Cl1 O2 166.4(8) 3_456 . . 3_456 ? Cl1 O3 Cl1 O4 69.4(6) 3_456 . . 3_456 ? Cl1 O3 Cl1 O2 -9.3(6) 3_456 . . . ? Cl1 O2 Cl1 O3 -134(2) 3_456 . . 3_456 ? Cl1 O2 Cl1 O4 134(2) 3_456 . . . ? Cl1 O2 Cl1 O2 0.000(6) 3_456 . . 3_456 ? Cl1 O2 Cl1 O4 -42(2) 3_456 . . 3_456 ? Cl1 O2 Cl1 O3 41(2) 3_456 . . . ? C4 N1 Ga1 N1 -18.2(6) . . . 3_556 ? C1 N1 Ga1 N1 163.4(3) . . . 3_556 ? C4 N1 Ga1 N2 178.1(3) . . . 3_556 ? C1 N1 Ga1 N2 -0.2(3) . . . 3_556 ? C4 N1 Ga1 N2 -1.9(3) . . . . ? C1 N1 Ga1 N2 179.8(3) . . . . ? C4 N1 Ga1 O1 -92.9(3) . . . 3_556 ? C1 N1 Ga1 O1 88.7(3) . . . 3_556 ? C4 N1 Ga1 O1 87.1(3) . . . . ? C1 N1 Ga1 O1 -91.3(3) . . . . ? C6 N2 Ga1 N1 178.1(3) . . . 3_556 ? C9 N2 Ga1 N1 -0.6(3) . . . 3_556 ? C6 N2 Ga1 N1 -1.9(3) . . . . ? C9 N2 Ga1 N1 179.4(3) . . . . ? C6 N2 Ga1 N2 45.9(6) . . . 3_556 ? C9 N2 Ga1 N2 -132.9(3) . . . 3_556 ? C6 N2 Ga1 O1 87.0(3) . . . 3_556 ? C9 N2 Ga1 O1 -91.8(3) . . . 3_556 ? C6 N2 Ga1 O1 -93.0(3) . . . . ? C9 N2 Ga1 O1 88.2(3) . . . . ? _diffrn_measured_fraction_theta_max 0.960 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.958 _refine_diff_density_min -0.847 _refine_diff_density_rms 0.094