Electronic Supplementary Material for Journal of Materials Chemistry This journal is © The Royal Society of Chemistry 2005 data_global _journal_coden_Cambridge 1145 loop_ _publ_author_name 'C. N. R. Rao' 'Meenakshi Dan' 'Kripasindhu Sardar' 'Birgit Schwenzer' _publ_contact_author_name 'Prof C. N. R. Rao' _publ_contact_author_address ; Chemistry & Physics of Materials Unit Jawaharlal Nehru Centre for Advanced Scientific Research Jakkur Bangalore 560064 INDIA ; _publ_contact_author_email CNRRAO@JNCASR.AC.IN _publ_requested_journal 'Journal of Materials Chemistry' _publ_section_title ; A simple single-source precursor route to the nanostructures of AlN, GaN and InN ; data_try1 _database_code_depnum_ccdc_archive 'CCDC 265420' _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C H4 Cl In0.33 N2 O' _chemical_formula_weight 133.79 _chemical_melting_point ? _chemical_compound_source ? 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' In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Cubic _symmetry_space_group_name_H-M Pa-3 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' 'z, x, y' 'z+1/2, -x+1/2, -y' '-z+1/2, -x, y+1/2' '-z, x+1/2, -y+1/2' 'y, z, x' '-y, z+1/2, -x+1/2' 'y+1/2, -z+1/2, -x' '-y+1/2, -z, x+1/2' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'x, -y-1/2, z-1/2' '-x-1/2, y-1/2, z' '-z, -x, -y' '-z-1/2, x-1/2, y' 'z-1/2, x, -y-1/2' 'z, -x-1/2, y-1/2' '-y, -z, -x' 'y, -z-1/2, x-1/2' '-y-1/2, z-1/2, x' 'y-1/2, z, -x-1/2' _cell_length_a 13.91760(10) _cell_length_b 13.91760(10) _cell_length_c 13.91760(10) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2695.83(3) _cell_formula_units_Z 24 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.28 _exptl_crystal_size_min 0.19 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.978 _exptl_crystal_density_method ? _exptl_crystal_F_000 1568 _exptl_absorpt_coefficient_mu 2.351 _exptl_absorpt_correction_type SADABS _exptl_absorpt_correction_T_min 0.724698 _exptl_absorpt_correction_T_max 1.000000 _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 ? _diffrn_measurement_method ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 10279 _diffrn_reflns_av_R_equivalents 0.0411 _diffrn_reflns_av_sigmaI/netI 0.0142 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 2.53 _diffrn_reflns_theta_max 23.20 _reflns_number_total 651 _reflns_number_observed 608 _reflns_observed_criterion >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0316P)^2^+1.1583P] 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 ? _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 651 _refine_ls_number_parameters 49 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0245 _refine_ls_R_factor_obs 0.0227 _refine_ls_wR_factor_all 0.0574 _refine_ls_wR_factor_obs 0.0568 _refine_ls_goodness_of_fit_all 1.255 _refine_ls_goodness_of_fit_obs 1.288 _refine_ls_restrained_S_all 1.255 _refine_ls_restrained_S_obs 1.288 _refine_ls_shift/esd_max 0.001 _refine_ls_shift/esd_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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group In1 In 0.847020(14) 0.347020(14) 0.152980(14) 0.0248(2) Uani 1 d S . Cl1 Cl 0.67265(6) 0.37383(6) 0.17201(6) 0.0412(2) Uani 1 d . . O1 O 0.8689(2) 0.5015(2) 0.1671(2) 0.0403(5) Uani 1 d . . C1 C 0.9294(2) 0.5548(2) 0.2086(2) 0.0367(8) Uani 1 d . . N1 N 0.9126(3) 0.6478(2) 0.2141(3) 0.0587(9) Uani 1 d . . H1 H 0.8610(3) 0.6714(2) 0.1896(3) 0.070 Uiso 1 calc R . H2 H 0.9532(3) 0.6850(2) 0.2422(3) 0.070 Uiso 1 calc R . N2 N 1.0074(2) 0.5217(2) 0.2483(3) 0.0804(12) Uani 1 d . . H3 H 1.0195(2) 0.4611(2) 0.2469(3) 0.096 Uiso 1 calc R . H4 H 1.0469(2) 0.5604(2) 0.2759(3) 0.096 Uiso 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 In1 0.0248(2) 0.0248(2) 0.0248(2) -0.00037(8) -0.00037(8) 0.00037(8) Cl1 0.0260(4) 0.0436(5) 0.0540(5) 0.0023(4) 0.0025(3) 0.0037(4) O1 0.0397(12) 0.0263(11) 0.0551(14) 0.0003(10) -0.0111(10) -0.0012(10) C1 0.033(2) 0.031(2) 0.046(2) 0.0010(14) 0.0022(15) -0.0039(14) N1 0.063(2) 0.029(2) 0.085(2) -0.0075(15) -0.015(2) -0.0019(14) N2 0.055(2) 0.040(2) 0.146(4) -0.004(2) -0.050(2) -0.007(2) _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 In1 O1 2.180(2) 11_556 ? In1 O1 2.180(2) 8_645 ? In1 O1 2.180(2) . ? In1 Cl1 2.4696(8) . ? In1 Cl1 2.4696(8) 11_556 ? In1 Cl1 2.4696(8) 8_645 ? O1 C1 1.263(4) . ? C1 N2 1.303(4) . ? C1 N1 1.318(4) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 In1 O1 87.90(9) 11_556 8_645 ? O1 In1 O1 87.90(9) 11_556 . ? O1 In1 O1 87.90(9) 8_645 . ? O1 In1 Cl1 176.02(6) 11_556 . ? O1 In1 Cl1 89.79(6) 8_645 . ? O1 In1 Cl1 88.79(6) . . ? O1 In1 Cl1 88.78(6) 11_556 11_556 ? O1 In1 Cl1 176.02(6) 8_645 11_556 ? O1 In1 Cl1 89.79(6) . 11_556 ? Cl1 In1 Cl1 93.40(3) . 11_556 ? O1 In1 Cl1 89.79(6) 11_556 8_645 ? O1 In1 Cl1 88.78(6) 8_645 8_645 ? O1 In1 Cl1 176.02(6) . 8_645 ? Cl1 In1 Cl1 93.40(3) . 8_645 ? Cl1 In1 Cl1 93.40(3) 11_556 8_645 ? C1 O1 In1 135.6(2) . . ? O1 C1 N2 122.8(3) . . ? O1 C1 N1 119.1(3) . . ? N2 C1 N1 118.1(3) . . ? _refine_diff_density_max 0.295 _refine_diff_density_min -0.830 _refine_diff_density_rms 0.119 data_try2 _database_code_depnum_ccdc_archive 'CCDC 265421' _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C1.50 H6 Cl0.75 Ga0.25 N3 O1.50' _chemical_formula_weight 134.11 _chemical_melting_point ? _chemical_compound_source ? 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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Hexagonal _symmetry_space_group_name_H-M P-3c1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'y, x, -z+1/2' 'x-y, -y, -z+1/2' '-x, -x+y, -z+1/2' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-y, -x, z-1/2' '-x+y, y, z-1/2' 'x, x-y, z-1/2' _cell_length_a 16.495(7) _cell_length_b 16.495(7) _cell_length_c 14.697(8) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_volume 3463.2(27) _cell_formula_units_Z 24 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description rod _exptl_crystal_colour colorless _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.14 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.543 _exptl_crystal_density_method ? _exptl_crystal_F_000 1644 _exptl_absorpt_coefficient_mu 1.585 _exptl_absorpt_correction_type SADABS _exptl_absorpt_correction_T_min 0.648677 _exptl_absorpt_correction_T_max 1.000000 _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 ? _diffrn_measurement_method ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 13627 _diffrn_reflns_av_R_equivalents 0.1667 _diffrn_reflns_av_sigmaI/netI 0.1025 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.43 _diffrn_reflns_theta_max 23.37 _reflns_number_total 1697 _reflns_number_observed 806 _reflns_observed_criterion >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0602P)^2^+0.2858P] 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 ? _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 1697 _refine_ls_number_parameters 128 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1613 _refine_ls_R_factor_obs 0.0613 _refine_ls_wR_factor_all 0.1555 _refine_ls_wR_factor_obs 0.1212 _refine_ls_goodness_of_fit_all 1.017 _refine_ls_goodness_of_fit_obs 1.198 _refine_ls_restrained_S_all 1.017 _refine_ls_restrained_S_obs 1.198 _refine_ls_shift/esd_max 0.000 _refine_ls_shift/esd_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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Ga1 Ga 1.0000 0.0000 0.0000 0.0373(6) Uani 1 d S . Ga2 Ga 0.6667 0.3333 0.32179(9) 0.0384(5) Uani 1 d S . O1 O 1.1122(3) 0.0444(3) 0.0742(3) 0.0426(14) Uani 1 d . . O2 O 0.7159(3) 0.4464(3) 0.3963(3) 0.0405(13) Uani 1 d . . O3 O 0.7791(3) 0.4026(3) 0.2459(3) 0.0444(14) Uani 1 d . . N1 N 1.1474(5) 0.1885(5) 0.1237(4) 0.061(2) Uani 1 d . . H1 H 1.0933(5) 0.1796(5) 0.1082(4) 0.073 Uiso 1 calc R . H2 H 1.1877(5) 0.2406(5) 0.1483(4) 0.073 Uiso 1 calc R . N2 N 0.8175(5) 0.2973(5) 0.1943(5) 0.080(3) Uani 1 d . . H3 H 0.7648(5) 0.2507(5) 0.2112(5) 0.096 Uiso 1 calc R . H4 H 0.8585(5) 0.2875(5) 0.1682(5) 0.096 Uiso 1 calc R . N3 N 0.8595(4) 0.4775(4) 0.4431(4) 0.054(2) Uani 1 d . . H5 H 0.8467(4) 0.4212(4) 0.4315(4) 0.065 Uiso 1 calc R . H6 H 0.9135(4) 0.5173(4) 0.4646(4) 0.065 Uiso 1 calc R . N4 N 0.9144(4) 0.4511(5) 0.1777(4) 0.062(2) Uani 1 d . . H7 H 0.9265(4) 0.5079(5) 0.1838(4) 0.074 Uiso 1 calc R . H8 H 0.9543(4) 0.4396(5) 0.1516(4) 0.074 Uiso 1 calc R . N5 N 0.8166(4) 0.5872(4) 0.4516(4) 0.061(2) Uani 1 d . . H9 H 0.7756(4) 0.6045(4) 0.4458(4) 0.073 Uiso 1 calc R . H10 H 0.8711(4) 0.6254(4) 0.4731(4) 0.073 Uiso 1 calc R . N6 N 1.2511(5) 0.1358(5) 0.1343(5) 0.072(2) Uani 1 d . . H11 H 1.2651(5) 0.0927(5) 0.1259(5) 0.087 Uiso 1 calc R . H12 H 1.2911(5) 0.1880(5) 0.1589(5) 0.087 Uiso 1 calc R . C1 C 1.1686(6) 0.1218(7) 0.1098(5) 0.045(2) Uani 1 d . . C2 C 0.8351(7) 0.3818(7) 0.2082(6) 0.050(2) Uani 1 d . . C3 C 0.7960(6) 0.5029(6) 0.4279(5) 0.041(2) Uani 1 d . . Cl1 Cl 1.00860(15) 0.6661(2) 0.5745(2) 0.0770(9) Uani 1 d . . Cl2 Cl 1.3323(2) 0.3323(2) 0.2500 0.0717(11) Uani 1 d S . 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 0.0314(9) 0.0314(9) 0.0490(13) 0.000 0.000 0.0157(4) Ga2 0.0320(6) 0.0320(6) 0.0513(10) 0.000 0.000 0.0160(3) O1 0.031(3) 0.029(3) 0.058(3) -0.008(3) -0.009(3) 0.008(3) O2 0.028(3) 0.026(3) 0.062(3) -0.008(3) -0.001(3) 0.010(3) O3 0.042(4) 0.041(4) 0.054(3) 0.003(3) 0.010(3) 0.023(3) N1 0.049(5) 0.048(5) 0.086(6) -0.018(4) -0.019(4) 0.026(4) N2 0.067(6) 0.039(5) 0.129(7) -0.005(5) 0.037(5) 0.023(5) N3 0.043(5) 0.027(4) 0.090(6) -0.021(4) -0.021(4) 0.016(4) N4 0.038(5) 0.056(5) 0.084(5) -0.008(5) 0.012(4) 0.018(5) N5 0.043(5) 0.038(5) 0.099(6) -0.012(4) -0.018(4) 0.019(4) N6 0.037(5) 0.055(6) 0.114(6) -0.030(5) -0.022(4) 0.015(4) C1 0.033(6) 0.055(7) 0.044(5) 0.011(5) 0.008(4) 0.019(5) C2 0.045(6) 0.053(7) 0.053(6) 0.000(5) 0.004(5) 0.024(6) C3 0.037(6) 0.030(6) 0.057(6) 0.000(4) 0.003(5) 0.018(5) Cl1 0.037(2) 0.063(2) 0.109(2) 0.0237(15) -0.0051(14) 0.0081(13) Cl2 0.052(2) 0.052(2) 0.073(2) 0.0011(11) -0.0011(11) -0.004(2) _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 O1 1.948(5) 9_545 ? Ga1 O1 1.948(5) 3_765 ? Ga1 O1 1.948(5) 7_755 ? Ga1 O1 1.948(5) . ? Ga1 O1 1.948(5) 8_665 ? Ga1 O1 1.948(5) 2_645 ? Ga2 O2 1.956(5) 3_665 ? Ga2 O2 1.956(5) 2_655 ? Ga2 O2 1.956(5) . ? Ga2 O3 1.968(5) . ? Ga2 O3 1.968(5) 3_665 ? Ga2 O3 1.968(5) 2_655 ? O1 C1 1.257(9) . ? O2 C3 1.265(8) . ? O3 C2 1.263(9) . ? N1 C1 1.327(10) . ? N2 C2 1.291(10) . ? N3 C3 1.328(9) . ? N4 C2 1.312(10) . ? N5 C3 1.303(9) . ? N6 C1 1.311(9) . ? 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 O1 Ga1 O1 180.0 9_545 3_765 ? O1 Ga1 O1 91.7(2) 9_545 7_755 ? O1 Ga1 O1 88.3(2) 3_765 7_755 ? O1 Ga1 O1 88.3(2) 9_545 . ? O1 Ga1 O1 91.7(2) 3_765 . ? O1 Ga1 O1 180.0 7_755 . ? O1 Ga1 O1 91.7(2) 9_545 8_665 ? O1 Ga1 O1 88.3(2) 3_765 8_665 ? O1 Ga1 O1 91.7(2) 7_755 8_665 ? O1 Ga1 O1 88.3(2) . 8_665 ? O1 Ga1 O1 88.3(2) 9_545 2_645 ? O1 Ga1 O1 91.7(2) 3_765 2_645 ? O1 Ga1 O1 88.3(2) 7_755 2_645 ? O1 Ga1 O1 91.7(2) . 2_645 ? O1 Ga1 O1 179.999(1) 8_665 2_645 ? O2 Ga2 O2 91.7(2) 3_665 2_655 ? O2 Ga2 O2 91.7(2) 3_665 . ? O2 Ga2 O2 91.7(2) 2_655 . ? O2 Ga2 O3 90.6(2) 3_665 . ? O2 Ga2 O3 177.2(2) 2_655 . ? O2 Ga2 O3 86.7(2) . . ? O2 Ga2 O3 86.7(2) 3_665 3_665 ? O2 Ga2 O3 90.6(2) 2_655 3_665 ? O2 Ga2 O3 177.2(2) . 3_665 ? O3 Ga2 O3 91.0(2) . 3_665 ? O2 Ga2 O3 177.2(2) 3_665 2_655 ? O2 Ga2 O3 86.7(2) 2_655 2_655 ? O2 Ga2 O3 90.6(2) . 2_655 ? O3 Ga2 O3 91.0(2) . 2_655 ? O3 Ga2 O3 91.0(2) 3_665 2_655 ? C1 O1 Ga1 134.1(6) . . ? C3 O2 Ga2 133.7(5) . . ? C2 O3 Ga2 134.2(6) . . ? O1 C1 N6 118.0(9) . . ? O1 C1 N1 122.5(8) . . ? N6 C1 N1 119.5(9) . . ? O3 C2 N2 124.2(9) . . ? O3 C2 N4 117.4(9) . . ? N2 C2 N4 118.3(9) . . ? O2 C3 N5 120.2(8) . . ? O2 C3 N3 121.9(8) . . ? N5 C3 N3 117.8(8) . . ? _refine_diff_density_max 0.555 _refine_diff_density_min -0.378 _refine_diff_density_rms 0.084