_publ_contact_author ; Yong Qiu ; _publ_contact_author_phone ' 0086 010 62788802 ' _publ_contact_author_fax ' 0086 010 62795137 ' _publ_contact_author_email ' qiuy@mail.tsinghua.edu.cn ' _publ_requested_journal 'Inorg. Chem.' _publ_contact_author_address ; Dr Yong Qiu organic optoelectronic Laboratory Chemistry Department Tsinghua University Beijing 100084 P.R.China ; _publ_section_title ; Synthesis, crystal structure, and luminescent properties of a binuclear gallium complex with mixed ligands ; _publ_author_name Qiao J. , Wang L. D. , Duan L. , Li Y. , Zhang D. Q. , Qiu Y. data_qiaoj-1 _audit_creation_method SHELXL-97 _chemical_name_systematic ; dimer of (salicylidene o-hydoxyanillino)(8-hydroxy- quinolino)gallium ; _chemical_formula_moiety ; (Ga (C9 H6 N O) (O C6 H5 CH N C6 H5 O))2 ; _chemical_melting_point ? _chemical_formula_sum 'C44 H30 Ga2 N4 O6' _chemical_formula_weight 850.16 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' 'Ga' 'Ga' 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.357(3) _cell_length_b 12.945(3) _cell_length_c 12.947(3) _cell_angle_alpha 103.461(15) _cell_angle_beta 100.070(7) _cell_angle_gamma 96.107(18) _cell_volume 1801.1(7) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 26 _cell_measurement_theta_min 3.3 _cell_measurement_theta_max 11.2 _exptl_crystal_description prism _exptl_crystal_colour yellow _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _exptl_crystal_density_diffrn 1.568 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 864 _exptl_absorpt_coefficient_mu 1.554 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_correction_T_min 0.35017 _exptl_absorpt_correction_T_max 0.41724 _exptl_absorpt_process_details 'North, et al., 1968' _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(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 'Bruker P4' _diffrn_measurement_method \w-scan _diffrn_standards_number 3 _diffrn_standards_interval_count 100 _diffrn_standards_decay_% +-4.1 _diffrn_reflns_number 6655 _diffrn_reflns_av_R_equivalents 0.0498 _diffrn_reflns_av_sigmaI/netI 0.1282 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 0 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 2.21 _diffrn_reflns_theta_max 25.01 _reflns_number_total 6281 _reflns_number_gt 3188 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'XSCANS (Bruker, 1997)' _computing_cell_refinement 'XSCANS (Bruker, 1997)' _computing_data_reduction 'XSCANS (Bruker, 1997)' _computing_structure_solution 'SHELXTL (Sheldick, 1995)' _computing_structure_refinement 'SHELXTL (Sheldick, 1995)' _computing_molecular_graphics 'SHELXTL (Sheldick, 1995)' _computing_publication_material 'SHELXTL (Sheldick, 1995)' _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^)+(0.0010P)^2^+1.0000P] 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 SHELXL _refine_ls_extinction_coef 0.0007(2) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 6281 _refine_ls_number_parameters 506 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1502 _refine_ls_R_factor_gt 0.0627 _refine_ls_wR_factor_ref 0.1290 _refine_ls_wR_factor_gt 0.1012 _refine_ls_goodness_of_fit_ref 1.068 _refine_ls_restrained_S_all 1.068 _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 Ga1 Ga 0.21903(7) 0.32236(6) 0.26862(7) 0.0484(3) Uani 1 1 d . . . Ga2 Ga 0.35996(7) 0.28562(6) 0.07026(6) 0.0449(3) Uani 1 1 d . . . O1 O 0.0823(4) 0.2276(4) 0.2823(4) 0.0540(13) Uani 1 1 d . . . O2 O 0.5342(4) 0.3170(3) 0.0846(3) 0.0457(12) Uani 1 1 d . . . O3 O 0.1955(4) 0.2427(4) 0.1062(4) 0.0466(12) Uani 1 1 d . . . O4 O 0.2527(4) 0.4223(4) 0.4065(4) 0.0548(14) Uani 1 1 d . . . O5 O 0.3070(4) 0.2164(4) -0.0797(4) 0.0529(13) Uani 1 1 d . . . O6 O 0.3755(4) 0.3750(4) 0.2264(4) 0.0478(13) Uani 1 1 d . . . N1 N 0.3144(6) 0.2152(4) 0.3300(4) 0.0448(15) Uani 1 1 d . . . N2 N 0.4048(5) 0.1429(4) 0.1030(4) 0.0428(14) Uani 1 1 d . . . N3 N 0.1088(6) 0.4129(5) 0.2008(5) 0.0571(17) Uani 1 1 d . . . N4 N 0.3456(5) 0.4346(5) 0.0448(5) 0.0502(16) Uani 1 1 d . . . C1 C 0.4321(7) 0.2140(6) 0.3539(6) 0.056(2) Uani 1 1 d . . . H1A H 0.4846 0.2701 0.3452 0.067 Uiso 1 1 calc R . . C2 C 0.4813(8) 0.1312(7) 0.3919(6) 0.066(2) Uani 1 1 d . . . H2A H 0.5646 0.1324 0.4091 0.080 Uiso 1 1 calc R . . C3 C 0.4021(8) 0.0488(6) 0.4027(6) 0.068(2) Uani 1 1 d . . . H3A H 0.4321 -0.0091 0.4233 0.082 Uiso 1 1 calc R . . C4 C 0.2754(8) 0.0496(6) 0.3832(5) 0.054(2) Uani 1 1 d . . . C5 C 0.2370(7) 0.1349(5) 0.3450(5) 0.0424(18) Uani 1 1 d . . . C6 C 0.1127(7) 0.1447(6) 0.3200(5) 0.050(2) Uani 1 1 d . . . C7 C 0.0309(7) 0.0655(6) 0.3371(6) 0.062(2) Uani 1 1 d . . . H7A H -0.0515 0.0693 0.3227 0.074 Uiso 1 1 calc R . . C8 C 0.0702(9) -0.0177(7) 0.3750(7) 0.075(3) Uani 1 1 d . . . H8A H 0.0127 -0.0687 0.3857 0.090 Uiso 1 1 calc R . . C9 C 0.1889(9) -0.0300(6) 0.3980(6) 0.073(3) Uani 1 1 d . . . H9A H 0.2122 -0.0884 0.4225 0.088 Uiso 1 1 calc R . . C10 C 0.3326(7) 0.0554(5) 0.1046(5) 0.0459(18) Uani 1 1 d . . . H10A H 0.2493 0.0542 0.0937 0.055 Uiso 1 1 calc R . . C11 C 0.3826(7) -0.0355(5) 0.1230(5) 0.0505(19) Uani 1 1 d . . . H11A H 0.3321 -0.0967 0.1237 0.061 Uiso 1 1 calc R . . C12 C 0.5059(7) -0.0339(5) 0.1400(5) 0.051(2) Uani 1 1 d . . . H12A H 0.5384 -0.0939 0.1527 0.062 Uiso 1 1 calc R . . C13 C 0.5830(7) 0.0579(5) 0.1384(5) 0.0453(18) Uani 1 1 d . . . C14 C 0.5273(6) 0.1458(5) 0.1177(5) 0.0388(17) Uani 1 1 d . . . C15 C 0.5947(6) 0.2420(5) 0.1092(5) 0.0435(18) Uani 1 1 d . . . C16 C 0.7192(7) 0.2455(6) 0.1258(6) 0.055(2) Uani 1 1 d . . . H16A H 0.7667 0.3072 0.1222 0.066 Uiso 1 1 calc R . . C17 C 0.7755(7) 0.1612(6) 0.1473(6) 0.057(2) Uani 1 1 d . . . H17A H 0.8595 0.1683 0.1587 0.069 Uiso 1 1 calc R . . C18 C 0.7114(7) 0.0678(6) 0.1524(5) 0.053(2) Uani 1 1 d . . . H18A H 0.7510 0.0112 0.1648 0.064 Uiso 1 1 calc R . . C19 C 0.0964(7) 0.2626(6) 0.0465(6) 0.0428(17) Uani 1 1 d . . . C20 C 0.0470(7) 0.3570(6) 0.0892(6) 0.0512(19) Uani 1 1 d . . . C21 C -0.0537(7) 0.3834(7) 0.0271(8) 0.071(3) Uani 1 1 d . . . H21A H -0.0856 0.4450 0.0541 0.085 Uiso 1 1 calc R . . C22 C -0.1049(8) 0.3180(9) -0.0735(8) 0.081(3) Uani 1 1 d . . . H22A H -0.1707 0.3372 -0.1147 0.097 Uiso 1 1 calc R . . C23 C -0.0629(8) 0.2257(9) -0.1157(7) 0.082(3) Uani 1 1 d . . . H23A H -0.1013 0.1808 -0.1830 0.098 Uiso 1 1 calc R . . C24 C 0.0390(7) 0.2003(7) -0.0553(6) 0.068(2) Uani 1 1 d . . . H24A H 0.0696 0.1388 -0.0849 0.081 Uiso 1 1 calc R . . C25 C 0.0874(8) 0.5028(7) 0.2480(7) 0.070(2) Uani 1 1 d . . . H25A H 0.0347 0.5366 0.2084 0.084 Uiso 1 1 calc R . . C26 C 0.1392(7) 0.5571(6) 0.3595(6) 0.057(2) Uani 1 1 d . . . C27 C 0.2151(7) 0.5143(6) 0.4316(6) 0.054(2) Uani 1 1 d . . . C28 C 0.2526(8) 0.5785(6) 0.5372(7) 0.070(2) Uani 1 1 d . . . H28A H 0.3044 0.5538 0.5869 0.084 Uiso 1 1 calc R . . C29 C 0.2170(10) 0.6761(7) 0.5715(8) 0.093(3) Uani 1 1 d . . . H29A H 0.2449 0.7158 0.6431 0.111 Uiso 1 1 calc R . . C30 C 0.1402(10) 0.7165(8) 0.5010(9) 0.098(3) Uani 1 1 d . . . H30A H 0.1156 0.7826 0.5251 0.118 Uiso 1 1 calc R . . C31 C 0.1014(9) 0.6595(7) 0.3975(8) 0.085(3) Uani 1 1 d . . . H31A H 0.0497 0.6864 0.3498 0.102 Uiso 1 1 calc R . . C32 C 0.2788(7) 0.3717(6) -0.1495(6) 0.0516(19) Uani 1 1 d . . . C33 C 0.2737(6) 0.2615(6) -0.1610(6) 0.0458(18) Uani 1 1 d . . . C34 C 0.2357(7) 0.1925(6) -0.2656(6) 0.059(2) Uani 1 1 d . . . H34A H 0.2310 0.1186 -0.2752 0.071 Uiso 1 1 calc R . . C35 C 0.2054(7) 0.2334(7) -0.3540(7) 0.069(2) Uani 1 1 d . . . H35A H 0.1800 0.1865 -0.4228 0.083 Uiso 1 1 calc R . . C36 C 0.2119(8) 0.3428(7) -0.3424(7) 0.078(3) Uani 1 1 d . . . H36A H 0.1914 0.3696 -0.4028 0.093 Uiso 1 1 calc R . . C37 C 0.2486(7) 0.4108(6) -0.2416(7) 0.069(2) Uani 1 1 d . . . H37A H 0.2538 0.4845 -0.2335 0.083 Uiso 1 1 calc R . . C38 C 0.3215(7) 0.4516(6) -0.0463(7) 0.063(2) Uani 1 1 d . . . H38A H 0.3319 0.5231 -0.0489 0.075 Uiso 1 1 calc R . . C39 C 0.3905(6) 0.5209(6) 0.1441(6) 0.0464(18) Uani 1 1 d . . . C40 C 0.4067(6) 0.4824(5) 0.2378(6) 0.0409(17) Uani 1 1 d . . . C41 C 0.4533(6) 0.5542(6) 0.3365(6) 0.054(2) Uani 1 1 d . . . H41A H 0.4658 0.5297 0.3989 0.064 Uiso 1 1 calc R . . C42 C 0.4817(8) 0.6617(7) 0.3441(7) 0.077(3) Uani 1 1 d . . . H42A H 0.5149 0.7099 0.4110 0.093 Uiso 1 1 calc R . . C43 C 0.4600(8) 0.6974(6) 0.2506(8) 0.071(3) Uani 1 1 d . . . H43A H 0.4752 0.7708 0.2564 0.085 Uiso 1 1 calc R . . C44 C 0.4175(7) 0.6295(6) 0.1513(6) 0.059(2) Uani 1 1 d . . . H44A H 0.4066 0.6550 0.0894 0.071 Uiso 1 1 calc R . . 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 Ga1 0.0480(6) 0.0460(5) 0.0571(6) 0.0189(4) 0.0167(5) 0.0104(4) Ga2 0.0426(6) 0.0437(5) 0.0544(6) 0.0189(4) 0.0142(4) 0.0116(4) O1 0.047(3) 0.052(3) 0.070(4) 0.024(3) 0.016(3) 0.013(3) O2 0.046(3) 0.037(3) 0.061(3) 0.021(2) 0.016(3) 0.012(2) O3 0.042(3) 0.050(3) 0.050(3) 0.013(2) 0.011(3) 0.009(3) O4 0.064(4) 0.052(3) 0.056(3) 0.016(3) 0.022(3) 0.019(3) O5 0.062(4) 0.055(3) 0.047(3) 0.019(3) 0.009(3) 0.022(3) O6 0.046(3) 0.043(3) 0.060(3) 0.017(2) 0.020(3) 0.010(2) N1 0.050(4) 0.047(4) 0.044(4) 0.017(3) 0.013(3) 0.016(3) N2 0.046(4) 0.043(4) 0.043(4) 0.012(3) 0.016(3) 0.009(3) N3 0.059(5) 0.049(4) 0.075(5) 0.025(4) 0.029(4) 0.016(4) N4 0.047(4) 0.061(4) 0.052(4) 0.026(3) 0.015(3) 0.018(3) C1 0.045(5) 0.059(5) 0.057(5) 0.005(4) 0.012(4) -0.001(4) C2 0.064(6) 0.067(6) 0.064(6) 0.018(5) -0.007(5) 0.021(5) C3 0.090(7) 0.045(5) 0.063(6) 0.016(4) -0.011(5) 0.022(5) C4 0.070(6) 0.051(5) 0.035(4) 0.015(4) -0.008(4) 0.005(4) C5 0.055(5) 0.034(4) 0.043(4) 0.012(3) 0.020(4) 0.005(4) C6 0.051(5) 0.064(5) 0.034(4) 0.016(4) 0.007(4) 0.001(4) C7 0.052(5) 0.069(6) 0.062(5) 0.020(4) 0.012(4) -0.007(5) C8 0.079(7) 0.062(6) 0.087(7) 0.034(5) 0.013(6) -0.003(5) C9 0.101(8) 0.043(5) 0.070(6) 0.029(4) -0.008(6) -0.006(5) C10 0.048(5) 0.043(4) 0.050(5) 0.017(4) 0.014(4) 0.005(4) C11 0.058(5) 0.040(4) 0.052(5) 0.014(4) 0.011(4) 0.001(4) C12 0.058(6) 0.035(4) 0.066(5) 0.021(4) 0.011(4) 0.012(4) C13 0.051(5) 0.043(4) 0.041(4) 0.009(3) 0.008(4) 0.009(4) C14 0.046(5) 0.036(4) 0.040(4) 0.015(3) 0.012(4) 0.011(4) C15 0.035(4) 0.041(4) 0.056(5) 0.015(4) 0.009(4) 0.012(4) C16 0.052(5) 0.056(5) 0.064(5) 0.023(4) 0.016(4) 0.010(4) C17 0.048(5) 0.062(5) 0.066(5) 0.017(4) 0.015(4) 0.016(4) C18 0.050(5) 0.053(5) 0.061(5) 0.023(4) 0.007(4) 0.020(4) C19 0.044(5) 0.045(4) 0.046(5) 0.017(4) 0.019(4) 0.009(4) C20 0.046(5) 0.060(5) 0.050(5) 0.023(4) 0.006(4) 0.002(4) C21 0.045(5) 0.091(7) 0.096(7) 0.052(6) 0.021(5) 0.022(5) C22 0.035(5) 0.137(9) 0.076(7) 0.038(7) 0.006(5) 0.016(6) C23 0.048(6) 0.132(9) 0.049(6) 0.013(6) -0.004(5) -0.012(6) C24 0.045(5) 0.090(7) 0.062(6) 0.004(5) 0.020(5) 0.004(5) C25 0.060(6) 0.073(6) 0.090(7) 0.032(6) 0.032(5) 0.015(5) C26 0.064(6) 0.056(5) 0.054(5) 0.014(4) 0.021(4) 0.005(4) C27 0.055(5) 0.053(5) 0.058(5) 0.016(4) 0.025(4) 0.002(4) C28 0.088(7) 0.043(5) 0.080(7) 0.016(5) 0.020(5) 0.012(5) C29 0.141(10) 0.063(7) 0.075(7) 0.005(5) 0.042(7) 0.011(7) C30 0.134(10) 0.073(7) 0.099(9) 0.014(7) 0.052(8) 0.037(7) C31 0.102(8) 0.077(7) 0.094(8) 0.035(6) 0.037(7) 0.031(6) C32 0.048(5) 0.056(5) 0.048(5) 0.009(4) 0.009(4) 0.006(4) C33 0.036(4) 0.055(5) 0.051(5) 0.023(4) 0.007(4) 0.011(4) C34 0.063(6) 0.055(5) 0.054(5) 0.015(4) 0.003(4) -0.005(4) C35 0.069(6) 0.065(6) 0.057(5) 0.002(5) 0.001(5) -0.010(5) C36 0.087(7) 0.086(7) 0.057(6) 0.032(5) -0.008(5) 0.001(6) C37 0.069(6) 0.054(5) 0.080(7) 0.021(5) 0.005(5) 0.005(5) C38 0.052(5) 0.062(6) 0.081(6) 0.021(5) 0.022(5) 0.017(4) C39 0.039(4) 0.047(4) 0.048(5) 0.006(4) 0.007(4) 0.004(4) C40 0.033(4) 0.037(4) 0.051(5) 0.010(4) 0.008(4) -0.001(3) C41 0.046(5) 0.064(5) 0.048(5) 0.014(4) 0.009(4) -0.004(4) C42 0.075(7) 0.068(6) 0.070(6) -0.009(5) 0.019(5) -0.015(5) C43 0.078(7) 0.049(5) 0.086(7) 0.012(5) 0.028(6) 0.000(5) C44 0.061(6) 0.069(6) 0.056(5) 0.031(5) 0.019(4) 0.005(5) _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 O4 1.895(5) . ? Ga1 O1 1.934(4) . ? Ga1 N3 2.029(6) . ? Ga1 O6 2.044(4) . ? Ga1 N1 2.064(5) . ? Ga1 O3 2.072(4) . ? Ga2 O5 1.898(5) . ? Ga2 O2 1.944(4) . ? Ga2 O6 2.049(5) . ? Ga2 N4 2.050(6) . ? Ga2 O3 2.053(4) . ? Ga2 N2 2.084(5) . ? O1 C6 1.332(8) . ? O2 C15 1.314(7) . ? O3 C19 1.335(8) . ? O4 C27 1.297(8) . ? O5 C33 1.337(7) . ? O6 C40 1.364(7) . ? N1 C1 1.321(8) . ? N1 C5 1.361(8) . ? N2 C10 1.333(7) . ? N2 C14 1.366(8) . ? N3 C25 1.253(9) . ? N3 C20 1.467(9) . ? N4 C38 1.238(8) . ? N4 C39 1.464(8) . ? C1 C2 1.407(9) . ? C2 C3 1.370(10) . ? C3 C4 1.418(10) . ? C4 C5 1.392(9) . ? C4 C9 1.416(10) . ? C5 C6 1.418(9) . ? C6 C7 1.392(9) . ? C7 C8 1.368(10) . ? C8 C9 1.364(11) . ? C10 C11 1.410(9) . ? C11 C12 1.376(9) . ? C12 C13 1.406(9) . ? C13 C14 1.415(9) . ? C13 C18 1.426(9) . ? C14 C15 1.428(8) . ? C15 C16 1.386(9) . ? C16 C17 1.381(9) . ? C17 C18 1.365(9) . ? C19 C24 1.381(9) . ? C19 C20 1.433(9) . ? C20 C21 1.401(10) . ? C21 C22 1.367(11) . ? C22 C23 1.365(11) . ? C23 C24 1.393(11) . ? C25 C26 1.437(10) . ? C26 C27 1.408(10) . ? C26 C31 1.440(10) . ? C27 C28 1.391(10) . ? C28 C29 1.367(10) . ? C29 C30 1.382(12) . ? C30 C31 1.340(11) . ? C32 C33 1.393(9) . ? C32 C37 1.404(9) . ? C32 C38 1.454(10) . ? C33 C34 1.402(9) . ? C34 C35 1.376(9) . ? C35 C36 1.382(10) . ? C36 C37 1.360(10) . ? C39 C44 1.385(9) . ? C39 C40 1.406(9) . ? C40 C41 1.372(9) . ? C41 C42 1.371(10) . ? C42 C43 1.385(10) . ? C43 C44 1.352(10) . ? 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 O4 Ga1 O1 100.6(2) . . ? O4 Ga1 N3 92.7(2) . . ? O1 Ga1 N3 91.7(2) . . ? O4 Ga1 O6 94.79(19) . . ? O1 Ga1 O6 160.96(19) . . ? N3 Ga1 O6 98.8(2) . . ? O4 Ga1 N1 91.6(2) . . ? O1 Ga1 N1 82.3(2) . . ? N3 Ga1 N1 173.2(2) . . ? O6 Ga1 N1 86.1(2) . . ? O4 Ga1 O3 167.13(19) . . ? O1 Ga1 O3 90.27(18) . . ? N3 Ga1 O3 80.0(2) . . ? O6 Ga1 O3 76.10(17) . . ? N1 Ga1 O3 96.8(2) . . ? O5 Ga2 O2 102.3(2) . . ? O5 Ga2 O6 165.2(2) . . ? O2 Ga2 O6 90.04(18) . . ? O5 Ga2 N4 92.5(2) . . ? O2 Ga2 N4 89.0(2) . . ? O6 Ga2 N4 79.4(2) . . ? O5 Ga2 O3 93.46(19) . . ? O2 Ga2 O3 160.24(18) . . ? O6 Ga2 O3 76.39(17) . . ? N4 Ga2 O3 102.2(2) . . ? O5 Ga2 N2 91.1(2) . . ? O2 Ga2 N2 81.8(2) . . ? O6 Ga2 N2 98.85(19) . . ? N4 Ga2 N2 170.7(2) . . ? O3 Ga2 N2 86.2(2) . . ? C6 O1 Ga1 113.8(4) . . ? C15 O2 Ga2 115.0(4) . . ? C19 O3 Ga2 118.2(4) . . ? C19 O3 Ga1 112.0(4) . . ? Ga2 O3 Ga1 103.0(2) . . ? C27 O4 Ga1 127.2(5) . . ? C33 O5 Ga2 127.8(4) . . ? C40 O6 Ga1 118.9(4) . . ? C40 O6 Ga2 112.7(4) . . ? Ga1 O6 Ga2 104.1(2) . . ? C1 N1 C5 119.1(6) . . ? C1 N1 Ga1 130.6(5) . . ? C5 N1 Ga1 110.3(5) . . ? C10 N2 C14 120.9(6) . . ? C10 N2 Ga2 129.4(5) . . ? C14 N2 Ga2 109.5(4) . . ? C25 N3 C20 122.1(7) . . ? C25 N3 Ga1 125.7(6) . . ? C20 N3 Ga1 112.0(5) . . ? C38 N4 C39 122.9(7) . . ? C38 N4 Ga2 123.9(6) . . ? C39 N4 Ga2 112.2(4) . . ? N1 C1 C2 122.7(7) . . ? C3 C2 C1 117.5(8) . . ? C2 C3 C4 121.7(7) . . ? C5 C4 C9 119.6(8) . . ? C5 C4 C3 115.7(7) . . ? C9 C4 C3 124.7(8) . . ? N1 C5 C4 123.2(7) . . ? N1 C5 C6 115.0(6) . . ? C4 C5 C6 121.8(7) . . ? O1 C6 C7 124.8(7) . . ? O1 C6 C5 118.6(6) . . ? C7 C6 C5 116.7(7) . . ? C8 C7 C6 120.8(8) . . ? C9 C8 C7 123.8(8) . . ? C8 C9 C4 117.3(8) . . ? N2 C10 C11 119.9(7) . . ? C12 C11 C10 120.3(7) . . ? C11 C12 C13 120.3(7) . . ? C12 C13 C14 116.8(7) . . ? C12 C13 C18 125.3(7) . . ? C14 C13 C18 117.9(6) . . ? N2 C14 C13 121.7(6) . . ? N2 C14 C15 115.8(6) . . ? C13 C14 C15 122.4(7) . . ? O2 C15 C16 126.3(6) . . ? O2 C15 C14 117.8(6) . . ? C16 C15 C14 115.8(7) . . ? C17 C16 C15 122.7(7) . . ? C18 C17 C16 121.8(7) . . ? C17 C18 C13 119.3(7) . . ? O3 C19 C24 124.8(7) . . ? O3 C19 C20 118.1(6) . . ? C24 C19 C20 117.1(7) . . ? C21 C20 C19 119.9(7) . . ? C21 C20 N3 127.4(8) . . ? C19 C20 N3 112.6(6) . . ? C22 C21 C20 119.6(8) . . ? C23 C22 C21 122.3(9) . . ? C22 C23 C24 118.4(8) . . ? C19 C24 C23 122.7(8) . . ? N3 C25 C26 124.1(9) . . ? C27 C26 C25 124.8(8) . . ? C27 C26 C31 120.2(8) . . ? C25 C26 C31 114.9(8) . . ? O4 C27 C28 118.8(8) . . ? O4 C27 C26 125.4(8) . . ? C28 C27 C26 115.8(8) . . ? C29 C28 C27 123.1(9) . . ? C28 C29 C30 120.8(9) . . ? C31 C30 C29 119.4(10) . . ? C30 C31 C26 120.7(9) . . ? C33 C32 C37 119.8(7) . . ? C33 C32 C38 123.5(7) . . ? C37 C32 C38 116.6(7) . . ? O5 C33 C32 124.6(7) . . ? O5 C33 C34 117.1(7) . . ? C32 C33 C34 118.2(7) . . ? C35 C34 C33 120.5(7) . . ? C34 C35 C36 121.1(8) . . ? C37 C36 C35 119.1(8) . . ? C36 C37 C32 121.2(8) . . ? N4 C38 C32 127.0(8) . . ? C44 C39 C40 120.8(7) . . ? C44 C39 N4 126.7(6) . . ? C40 C39 N4 112.5(6) . . ? O6 C40 C41 123.0(6) . . ? O6 C40 C39 118.4(6) . . ? C41 C40 C39 118.7(6) . . ? C42 C41 C40 120.9(7) . . ? C41 C42 C43 118.9(8) . . ? C44 C43 C42 122.4(8) . . ? C43 C44 C39 118.3(7) . . ? _diffrn_measured_fraction_theta_max 0.986 _diffrn_reflns_theta_full 25.01 _diffrn_measured_fraction_theta_full 0.986 _refine_diff_density_max 0.531 _refine_diff_density_min -0.471 _refine_diff_density_rms 0.096 #===END