# Supplementary Material (ESI) for ChemComm # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 182/1495 data_7 # 1. SUBMISSION DETAILS _publ_contact_author ; Gerald Linti Institut f\"ur anorganische Chemie Universit\"at Karlsruhe Engesserstr. Geb. 30.45 76128 Karlsruhe Bundesrepublik Deutschland ; _publ_contact_author_phone '0721 608 2822' _publ_contact_author_fax '0721 608 4854' _publ_contact_author_email linti@achpc9.chemie.uni-karlsruhe.de _publ_requested_journal 'Chem. Commun.' # 3. TITLE AND AUTHOR LIST _publ_section_title ; On the Chemistry of Gallium, 16 A Facile Synthesis and Crystal Structure of a Ga22R8 Cluster ; loop_ _publ_author_name _publ_author_address 'Gerald Linti' ; Institut f\"ur anorganische Chemie Universit\"at Karlsruhe Engesserstr. Geb. 30.45 76128 Karlsruhe Bundesrepublik Deutschland ; 'Alexander Rodig' ; Institut f\"ur anorganische Chemie Universit\"at Karlsruhe Engesserstr. Geb. 30.45 76128 Karlsruhe Bundesrepublik Deutschland ; _publ_manuscript_creation 'RTF-File by CIFRTF (H.Schwenk 1996)' _audit_creation_method 'SHELXL-CIF-file updated by CIFRTF' _chemical_name_systematic ; Tetrakis(tris(trimethylsilyl)germyltetragallan_0.5 Hexakis(trimethyl- silyl)digermoxan ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C48.50 H139 Ga4 Ge5 O0.50 Si15' _chemical_formula_weight 1793.78 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' 'Si' 'Si' 0.0817 0.0704 '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' 'Ge' 'Ge' 0.1547 1.8001 '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' _symmetry_cell_setting cubic _symmetry_space_group_name_H-M ? 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 26.975(3) _cell_length_b 26.975(3) _cell_length_c 26.975(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 19628(4) _cell_formula_units_Z 8 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description plate _exptl_crystal_colour balck-violet _exptl_crystal_size_max .2 _exptl_crystal_size_mid .2 _exptl_crystal_size_min .1 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.214 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 7424 _exptl_absorpt_coefficient_mu 2.796 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; Diffractometer operator E. M\"ollhausen Background measurement : Stationary crystal and stationary counter at the beginning and end of scan, each for 25% of total scan time Crystal mounted in perfluorpolyetheroil ; _diffrn_ambient_temperature 200(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 'STOE IPDS' _diffrn_measurement_method IPDS _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time 0 _diffrn_standards_decay_% ? _diffrn_reflns_number 14038 _diffrn_reflns_av_R_equivalents 0.2355 _diffrn_reflns_av_sigmaI/netI 0.2821 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 26 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 26 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.31 _diffrn_reflns_theta_max 20.82 _reflns_number_total 3337 _reflns_number_gt 1193 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'XSTEP (Ver. 2.00)' _computing_cell_refinement 'XSTEP (Ver. 2.00)' _computing_data_reduction 'XSTEP (Ver. 2.00)' _computing_structure_solution 'XS (Siemens)' _computing_structure_refinement 'SHELXL (Sheldrick 1997)' _computing_molecular_graphics 'XP (SHELXTL-Plus)' _computing_publication_material 'SHELXL (Sheldrick 1997)' _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^)+(0.1639P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary 'direct methods' _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geometrically _refine_ls_hydrogen_treatment 'mixed ' _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0012(2) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 3337 _refine_ls_number_parameters 228 _refine_ls_number_restraints 58 _refine_ls_R_factor_all 0.2270 _refine_ls_R_factor_gt 0.1081 _refine_ls_wR_factor_ref 0.3309 _refine_ls_wR_factor_gt 0.2891 _refine_ls_goodness_of_fit_ref 0.910 _refine_ls_restrained_S_all 0.902 _refine_ls_shift/su_max 0.005 _refine_ls_shift/su_mean 0.001 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 0.30947(10) 0.19053(10) -0.19053(10) 0.0607(15) Uani 1 3 d SD A . Ga2 Ga 0.24438(11) 0.26070(10) -0.19038(11) 0.0588(10) Uani 1 1 d D A . Ge1 Ge 0.36228(10) 0.13772(10) -0.13772(10) 0.0585(15) Uani 1 3 d SD . . Ge2 Ge 0.19342(10) 0.31566(10) -0.13874(10) 0.0592(10) Uani 1 1 d D . . Si1 Si 0.3968(9) 0.0756(8) -0.1886(9) 0.065(7) Uani 0.50 1 d PD A 1 Si2 Si 0.4172(9) 0.0928(10) -0.1879(11) 0.081(9) Uani 0.50 1 d PD A 2 Si3 Si 0.1565(9) 0.2667(9) -0.0768(8) 0.093(9) Uani 0.50 1 d PD B 1 Si4 Si 0.1312(7) 0.3495(8) -0.1893(9) 0.067(7) Uani 0.50 1 d PD B 1 Si5 Si 0.2423(7) 0.3777(7) -0.1014(7) 0.060(6) Uani 0.50 1 d PD B 1 Si6 Si 0.1341(9) 0.2626(9) -0.1006(9) 0.090(8) Uani 0.50 1 d PD B 2 Si7 Si 0.1517(9) 0.3716(8) -0.1919(8) 0.074(7) Uani 0.50 1 d PD B 2 Si8 Si 0.2469(8) 0.3534(9) -0.0803(8) 0.081(7) Uani 0.50 1 d PD B 2 C11 C 0.441(2) 0.035(2) -0.155(2) 0.10(3) Uiso 0.50 1 d PD A 1 H11A H 0.4545 0.0099 -0.1773 0.153 Uiso 0.50 1 calc PR A 1 H11B H 0.4242 0.0187 -0.1270 0.153 Uiso 0.50 1 calc PR A 1 H11C H 0.4686 0.0553 -0.1417 0.153 Uiso 0.50 1 calc PR A 1 C12 C 0.3470(16) 0.0311(17) -0.206(2) 0.085(18) Uiso 0.50 1 d PD A 1 H12A H 0.3607 0.0053 -0.2273 0.127 Uiso 0.50 1 calc PR A 1 H12B H 0.3205 0.0488 -0.2233 0.127 Uiso 0.50 1 calc PR A 1 H12C H 0.3334 0.0159 -0.1756 0.127 Uiso 0.50 1 calc PR A 1 C13 C 0.421(3) 0.107(3) -0.245(2) 0.13(3) Uiso 0.50 1 d PD A 1 H13A H 0.4357 0.0827 -0.2673 0.191 Uiso 0.50 1 calc PR A 1 H13B H 0.4470 0.1311 -0.2350 0.191 Uiso 0.50 1 calc PR A 1 H13C H 0.3943 0.1248 -0.2616 0.191 Uiso 0.50 1 calc PR A 1 C21 C 0.379(3) 0.060(3) -0.235(2) 0.15(3) Uiso 0.50 1 d PD A 2 H21A H 0.4011 0.0403 -0.2567 0.223 Uiso 0.50 1 calc PR A 2 H21B H 0.3610 0.0840 -0.2551 0.223 Uiso 0.50 1 calc PR A 2 H21C H 0.3558 0.0376 -0.2185 0.223 Uiso 0.50 1 calc PR A 2 C22 C 0.449(3) 0.141(3) -0.226(3) 0.18(4) Uiso 0.50 1 d PD A 2 H22A H 0.4726 0.1243 -0.2486 0.277 Uiso 0.50 1 calc PR A 2 H22B H 0.4674 0.1632 -0.2041 0.277 Uiso 0.50 1 calc PR A 2 H22C H 0.4248 0.1592 -0.2452 0.277 Uiso 0.50 1 calc PR A 2 C23 C 0.461(2) 0.055(2) -0.151(2) 0.09(2) Uiso 0.50 1 d PD A 2 H23A H 0.4835 0.0368 -0.1735 0.131 Uiso 0.50 1 calc PR A 2 H23B H 0.4426 0.0308 -0.1309 0.131 Uiso 0.50 1 calc PR A 2 H23C H 0.4807 0.0763 -0.1293 0.131 Uiso 0.50 1 calc PR A 2 C31 C 0.1993(19) 0.255(2) -0.0239(16) 0.091(19) Uiso 0.50 1 d PD B 1 H31A H 0.1827 0.2348 0.0009 0.136 Uiso 0.50 1 calc PR B 1 H31B H 0.2086 0.2872 -0.0089 0.136 Uiso 0.50 1 calc PR B 1 H31C H 0.2291 0.2386 -0.0358 0.136 Uiso 0.50 1 calc PR B 1 C32 C 0.133(2) 0.2071(14) -0.102(2) 0.076(17) Uiso 0.50 1 d PD B 1 H32A H 0.1180 0.1876 -0.0749 0.114 Uiso 0.50 1 calc PR B 1 H32B H 0.1598 0.1885 -0.1170 0.114 Uiso 0.50 1 calc PR B 1 H32C H 0.1071 0.2139 -0.1270 0.114 Uiso 0.50 1 calc PR B 1 C33 C 0.1034(11) 0.3001(13) -0.0480(13) 0.123(13) Uiso 1 1 d D . . C41 C 0.161(2) 0.382(2) -0.2428(19) 0.11(2) Uiso 0.50 1 d PD B 1 H41A H 0.1347 0.3955 -0.2643 0.166 Uiso 0.50 1 calc PR B 1 H41B H 0.1806 0.3580 -0.2617 0.166 Uiso 0.50 1 calc PR B 1 H41C H 0.1818 0.4085 -0.2306 0.166 Uiso 0.50 1 calc PR B 1 C42 C 0.0878(17) 0.2993(16) -0.208(2) 0.090(19) Uiso 0.50 1 d PD B 1 H42A H 0.0618 0.3130 -0.2289 0.135 Uiso 0.50 1 calc PR B 1 H42B H 0.0727 0.2849 -0.1779 0.135 Uiso 0.50 1 calc PR B 1 H42C H 0.1060 0.2736 -0.2257 0.135 Uiso 0.50 1 calc PR B 1 C43 C 0.0987(12) 0.4011(11) -0.1568(12) 0.117(12) Uiso 1 1 d D . . C51 C 0.3036(16) 0.355(3) -0.079(3) 0.14(3) Uiso 0.50 1 d PD B 1 H51A H 0.3222 0.3827 -0.0647 0.203 Uiso 0.50 1 calc PR B 1 H51B H 0.3223 0.3414 -0.1073 0.203 Uiso 0.50 1 calc PR B 1 H51C H 0.2987 0.3292 -0.0543 0.203 Uiso 0.50 1 calc PR B 1 C52 C 0.265(2) 0.424(2) -0.147(2) 0.11(2) Uiso 0.50 1 d PD B 1 H52A H 0.2852 0.4492 -0.1296 0.166 Uiso 0.50 1 calc PR B 1 H52B H 0.2368 0.4405 -0.1629 0.166 Uiso 0.50 1 calc PR B 1 H52C H 0.2854 0.4077 -0.1720 0.166 Uiso 0.50 1 calc PR B 1 C53 C 0.2090(12) 0.4081(12) -0.0493(10) 0.109(11) Uiso 1 1 d D . . C61 C 0.0823(16) 0.241(2) -0.140(2) 0.10(2) Uiso 0.50 1 d PD B 2 H61A H 0.0602 0.2194 -0.1209 0.143 Uiso 0.50 1 calc PR B 2 H61B H 0.0957 0.2216 -0.1683 0.143 Uiso 0.50 1 calc PR B 2 H61C H 0.0637 0.2691 -0.1530 0.143 Uiso 0.50 1 calc PR B 2 C62 C 0.166(2) 0.2082(17) -0.073(2) 0.088(19) Uiso 0.50 1 d PD B 2 H62A H 0.1419 0.1866 -0.0569 0.131 Uiso 0.50 1 calc PR B 2 H62B H 0.1904 0.2196 -0.0484 0.131 Uiso 0.50 1 calc PR B 2 H62C H 0.1834 0.1897 -0.0991 0.131 Uiso 0.50 1 calc PR B 2 C71 C 0.199(2) 0.415(2) -0.217(2) 0.11(2) Uiso 0.50 1 d PD B 2 H71A H 0.1824 0.4389 -0.2397 0.168 Uiso 0.50 1 calc PR B 2 H71B H 0.2238 0.3966 -0.2360 0.168 Uiso 0.50 1 calc PR B 2 H71C H 0.2147 0.4332 -0.1902 0.168 Uiso 0.50 1 calc PR B 2 C72 C 0.124(2) 0.339(2) -0.2459(17) 0.10(2) Uiso 0.50 1 d PD B 2 H72A H 0.1069 0.3628 -0.2672 0.149 Uiso 0.50 1 calc PR B 2 H72B H 0.1003 0.3140 -0.2342 0.149 Uiso 0.50 1 calc PR B 2 H72C H 0.1504 0.3225 -0.2649 0.149 Uiso 0.50 1 calc PR B 2 C81 C 0.266(2) 0.3078(18) -0.0320(17) 0.10(2) Uiso 0.50 1 d PD B 2 H81A H 0.2878 0.3239 -0.0081 0.144 Uiso 0.50 1 calc PR B 2 H81B H 0.2828 0.2800 -0.0477 0.144 Uiso 0.50 1 calc PR B 2 H81C H 0.2360 0.2956 -0.0148 0.144 Uiso 0.50 1 calc PR B 2 C82 C 0.292(3) 0.387(3) -0.120(3) 0.16(3) Uiso 0.50 1 d PD B 2 H82A H 0.3164 0.4042 -0.0988 0.238 Uiso 0.50 1 calc PR B 2 H82B H 0.2748 0.4113 -0.1405 0.238 Uiso 0.50 1 calc PR B 2 H82C H 0.3096 0.3633 -0.1413 0.238 Uiso 0.50 1 calc PR B 2 C91 C 0.564(2) 0.354(3) -0.064(3) 0.13(3) Uiso 0.50 1 d PD C 3 C92 C 0.446(2) 0.363(4) -0.008(4) 0.20(4) Uiso 0.50 1 d PD C 3 C93 C 0.544(4) 0.328(3) -0.012(4) 0.21(5) Uiso 0.50 1 d PD C 3 C94 C 0.533(5) 0.341(4) -0.087(3) 0.19(4) Uiso 0.50 1 d PD C 4 C95 C 0.4459(18) 0.396(3) -0.066(3) 0.17(3) Uiso 0.50 1 d PD C 4 C96 C 0.510(4) 0.350(4) 0.0252(19) 0.18(4) Uiso 0.50 1 d PD C 4 C97 C 0.021(3) 0.532(3) 0.050(3) 0.13(3) Uiso 0.50 1 d P . . Ge3 Ge 0.5453(4) 0.4547(4) -0.0453(4) 0.088(5) Uani 0.50 3 d SPD . . Ge4 Ge 0.4765(6) 0.5235(6) 0.0235(6) 0.111(6) Uani 0.50 3 d SPD . . Si9 Si 0.5065(6) 0.3805(7) -0.0367(11) 0.278(14) Uani 1 1 d D . . O O 0.486(4) 0.481(6) -0.027(5) 0.108 Uiso 0.17 1 d PD . . 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 0.0607(15) 0.0607(15) 0.0607(15) 0.0059(15) -0.0059(15) 0.0059(15) Ga2 0.062(2) 0.056(2) 0.059(2) -0.0008(15) 0.0014(16) 0.0024(15) Ge1 0.0585(15) 0.0585(15) 0.0585(15) 0.0011(15) -0.0011(15) 0.0011(15) Ge2 0.065(2) 0.055(2) 0.057(2) 0.0009(14) 0.0031(15) 0.0042(15) Si1 0.081(19) 0.050(15) 0.063(14) 0.004(11) -0.009(14) 0.010(12) Si2 0.065(18) 0.09(2) 0.084(17) -0.028(16) 0.001(13) -0.008(13) Si3 0.13(3) 0.082(17) 0.065(17) -0.017(13) 0.035(14) -0.036(16) Si4 0.052(14) 0.068(17) 0.081(15) 0.013(13) -0.002(11) -0.006(10) Si5 0.051(12) 0.061(14) 0.069(16) -0.004(10) -0.022(11) 0.008(10) Si6 0.087(19) 0.082(18) 0.10(2) -0.007(14) 0.017(14) 0.000(13) Si7 0.080(19) 0.064(17) 0.078(16) -0.014(13) -0.007(14) 0.022(12) Si8 0.076(15) 0.11(2) 0.053(15) -0.007(12) -0.015(11) 0.041(14) Ge3 0.088(5) 0.088(5) 0.088(5) 0.013(5) -0.013(5) -0.013(5) Ge4 0.111(6) 0.111(6) 0.111(6) 0.029(7) -0.029(7) -0.029(7) Si9 0.110(14) 0.179(18) 0.55(4) 0.16(2) -0.004(17) -0.023(11) _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 Ge1 2.468(6) . ? Ga1 Ga2 2.582(5) 12_554 ? Ga1 Ga2 2.582(5) 6 ? Ga1 Ga2 2.582(5) . ? Ga2 Ge2 2.455(4) . ? Ga2 Ga2 2.591(5) 12_554 ? Ga2 Ga2 2.591(5) 6 ? Ge1 Si2 2.34(2) 12_554 ? Ge1 Si2 2.34(2) . ? Ge1 Si2 2.34(2) 6 ? Ge1 Si1 2.36(2) . ? Ge1 Si1 2.36(2) 6 ? Ge1 Si1 2.36(2) 12_554 ? Ge2 Si4 2.35(2) . ? Ge2 Si3 2.35(2) . ? Ge2 Si5 2.357(17) . ? Ge2 Si8 2.37(2) . ? Ge2 Si7 2.37(2) . ? Ge2 Si6 2.38(2) . ? Si1 C12 1.859(10) . ? Si1 C13 1.861(10) . ? Si1 C11 1.864(10) . ? Si2 C22 1.859(10) . ? Si2 C23 1.861(10) . ? Si2 C21 1.861(10) . ? Si3 C31 1.860(10) . ? Si3 C32 1.860(10) . ? Si3 C33 1.862(10) . ? Si4 C42 1.857(10) . ? Si4 C41 1.862(10) . ? Si4 C43 1.863(10) . ? Si5 C52 1.859(7) . ? Si5 C53 1.860(10) . ? Si5 C51 1.862(10) . ? Si6 C61 1.860(10) . ? Si6 C62 1.861(10) . ? Si6 C33 1.93(4) . ? Si7 C72 1.860(10) . ? Si7 C71 1.864(10) . ? Si7 C43 1.89(4) . ? Si8 C82 1.862(10) . ? Si8 C81 1.862(10) . ? Si8 C53 1.98(4) . ? C91 C93 1.65(12) . ? C91 Si9 1.860(10) . ? C92 Si9 1.862(10) . ? C93 Si9 1.861(10) . ? C94 Si9 1.862(10) . ? C95 Si9 1.862(10) . ? C96 Si9 1.860(10) . ? C97 C97 1.71(7) 23_665 ? C97 C97 1.71(7) 20_565 ? Ge3 Ge4 1.02(2) 13_665 ? Ge3 O 1.81(5) 7_564 ? Ge3 O 1.81(5) 10_655 ? Ge3 O 1.81(5) . ? Ge3 Si9 2.270(17) . ? Ge3 Si9 2.270(17) 7_564 ? Ge3 Si9 2.270(17) 10_655 ? Ge4 O 1.02(10) 22_565 ? Ge4 O 1.02(10) 19_656 ? Ge4 O 1.02(10) 13_665 ? Ge4 Ge3 1.02(2) 13_665 ? Ge4 O 1.80(5) . ? Ge4 O 1.80(5) 7_564 ? Ge4 O 1.80(5) 10_655 ? Ge4 Ge4 2.20(5) 13_665 ? Ge4 Si9 2.65(2) 13_665 ? Ge4 Si9 2.65(2) 22_565 ? Ge4 Si9 2.65(2) 19_656 ? Si9 Ge4 2.65(2) 13_665 ? O Ge4 1.02(10) 13_665 ? O O 1.30(9) 22_565 ? O O 1.30(9) 19_656 ? O O 1.4(2) 7_564 ? O O 1.4(2) 10_655 ? 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 Ge1 Ga1 Ga2 144.58(9) . 12_554 ? Ge1 Ga1 Ga2 144.58(9) . 6 ? Ga2 Ga1 Ga2 60.25(14) 12_554 6 ? Ge1 Ga1 Ga2 144.58(9) . . ? Ga2 Ga1 Ga2 60.25(14) 12_554 . ? Ga2 Ga1 Ga2 60.25(14) 6 . ? Ge2 Ga2 Ga1 145.53(16) . . ? Ge2 Ga2 Ga2 142.91(17) . 12_554 ? Ga1 Ga2 Ga2 59.88(7) . 12_554 ? Ge2 Ga2 Ga2 145.85(17) . 6 ? Ga1 Ga2 Ga2 59.88(7) . 6 ? Ga2 Ga2 Ga2 60.0 12_554 6 ? Si2 Ge1 Si2 109.7(8) 12_554 . ? Si2 Ge1 Si2 109.7(8) 12_554 6 ? Si2 Ge1 Si2 109.7(8) . 6 ? Si2 Ge1 Si1 125.1(6) 12_554 . ? Si2 Ge1 Si1 17.6(6) . . ? Si2 Ge1 Si1 94.6(6) 6 . ? Si2 Ge1 Si1 94.6(6) 12_554 6 ? Si2 Ge1 Si1 125.1(6) . 6 ? Si2 Ge1 Si1 17.6(6) 6 6 ? Si1 Ge1 Si1 111.3(6) . 6 ? Si2 Ge1 Si1 17.6(6) 12_554 12_554 ? Si2 Ge1 Si1 94.6(6) . 12_554 ? Si2 Ge1 Si1 125.1(6) 6 12_554 ? Si1 Ge1 Si1 111.3(6) . 12_554 ? Si1 Ge1 Si1 111.3(6) 6 12_554 ? Si2 Ge1 Ga1 109.2(8) 12_554 . ? Si2 Ge1 Ga1 109.2(8) . . ? Si2 Ge1 Ga1 109.2(8) 6 . ? Si1 Ge1 Ga1 107.6(6) . . ? Si1 Ge1 Ga1 107.6(6) 6 . ? Si1 Ge1 Ga1 107.6(6) 12_554 . ? Si4 Ge2 Si3 109.2(8) . . ? Si4 Ge2 Si5 111.8(7) . . ? Si3 Ge2 Si5 109.4(8) . . ? Si4 Ge2 Si8 130.9(8) . . ? Si3 Ge2 Si8 91.5(8) . . ? Si5 Ge2 Si8 21.4(5) . . ? Si4 Ge2 Si7 19.9(5) . . ? Si3 Ge2 Si7 126.0(9) . . ? Si5 Ge2 Si7 94.1(8) . . ? Si8 Ge2 Si7 114.8(8) . . ? Si4 Ge2 Si6 90.2(8) . . ? Si3 Ge2 Si6 21.7(6) . . ? Si5 Ge2 Si6 128.2(8) . . ? Si8 Ge2 Si6 112.3(9) . . ? Si7 Ge2 Si6 109.0(8) . . ? Si4 Ge2 Ga2 107.8(6) . . ? Si3 Ge2 Ga2 107.5(6) . . ? Si5 Ge2 Ga2 111.0(5) . . ? Si8 Ge2 Ga2 107.3(5) . . ? Si7 Ge2 Ga2 107.9(6) . . ? Si6 Ge2 Ga2 105.0(6) . . ? C12 Si1 C13 111(3) . . ? C12 Si1 C11 102(3) . . ? C13 Si1 C11 116(4) . . ? C12 Si1 Ge1 108(2) . . ? C13 Si1 Ge1 107(3) . . ? C11 Si1 Ge1 113(3) . . ? C22 Si2 C23 112(4) . . ? C22 Si2 C21 102(4) . . ? C23 Si2 C21 117(4) . . ? C22 Si2 Ge1 105(3) . . ? C23 Si2 Ge1 112(3) . . ? C21 Si2 Ge1 107(3) . . ? C31 Si3 C32 111(3) . . ? C31 Si3 C33 104(2) . . ? C32 Si3 C33 108(2) . . ? C31 Si3 Ge2 112(2) . . ? C32 Si3 Ge2 112(2) . . ? C33 Si3 Ge2 110.5(16) . . ? C42 Si4 C41 114(3) . . ? C42 Si4 C43 112(2) . . ? C41 Si4 C43 102(3) . . ? C42 Si4 Ge2 109(2) . . ? C41 Si4 Ge2 109(2) . . ? C43 Si4 Ge2 110.7(15) . . ? C52 Si5 C53 111(3) . . ? C52 Si5 C51 98(3) . . ? C53 Si5 C51 109(3) . . ? C52 Si5 Ge2 113(2) . . ? C53 Si5 Ge2 111.4(14) . . ? C51 Si5 Ge2 114(3) . . ? C61 Si6 C62 109(3) . . ? C61 Si6 C33 106(2) . . ? C62 Si6 C33 109(2) . . ? C61 Si6 Ge2 117(2) . . ? C62 Si6 Ge2 110(2) . . ? C33 Si6 Ge2 106.9(15) . . ? C72 Si7 C71 106(3) . . ? C72 Si7 C43 107(3) . . ? C71 Si7 C43 116(3) . . ? C72 Si7 Ge2 111(2) . . ? C71 Si7 Ge2 108(2) . . ? C43 Si7 Ge2 109.0(15) . . ? C82 Si8 C81 123(4) . . ? C82 Si8 C53 103(3) . . ? C81 Si8 C53 110(2) . . ? C82 Si8 Ge2 103(3) . . ? C81 Si8 Ge2 110(2) . . ? C53 Si8 Ge2 106.7(13) . . ? Si3 C33 Si6 27.1(9) . . ? Si4 C43 Si7 25.1(7) . . ? Si5 C53 Si8 26.2(7) . . ? C93 C91 Si9 64(2) . . ? C91 C93 Si9 64(2) . . ? C97 C97 C97 119.8(8) 23_665 20_565 ? Ge4 Ge3 O 27(4) 13_665 7_564 ? Ge4 Ge3 O 27(4) 13_665 10_655 ? O Ge3 O 46(6) 7_564 10_655 ? Ge4 Ge3 O 27(4) 13_665 . ? O Ge3 O 46(6) 7_564 . ? O Ge3 O 46(6) 10_655 . ? Ge4 Ge3 Si9 100.6(8) 13_665 . ? O Ge3 Si9 128(4) 7_564 . ? O Ge3 Si9 88(5) 10_655 . ? O Ge3 Si9 85(5) . . ? Ge4 Ge3 Si9 100.6(8) 13_665 7_564 ? O Ge3 Si9 85(5) 7_564 7_564 ? O Ge3 Si9 128(4) 10_655 7_564 ? O Ge3 Si9 88(5) . 7_564 ? Si9 Ge3 Si9 116.7(5) . 7_564 ? Ge4 Ge3 Si9 100.6(8) 13_665 10_655 ? O Ge3 Si9 88(5) 7_564 10_655 ? O Ge3 Si9 85(5) 10_655 10_655 ? O Ge3 Si9 128(4) . 10_655 ? Si9 Ge3 Si9 116.7(5) . 10_655 ? Si9 Ge3 Si9 116.7(5) 7_564 10_655 ? O Ge4 O 89(8) 22_565 19_656 ? O Ge4 O 89(8) 22_565 13_665 ? O Ge4 O 89(8) 19_656 13_665 ? O Ge4 Ge3 126(5) 22_565 13_665 ? O Ge4 Ge3 126(5) 19_656 13_665 ? O Ge4 Ge3 126(5) 13_665 13_665 ? O Ge4 O 45(4) 22_565 . ? O Ge4 O 45(4) 19_656 . ? O Ge4 O 81(9) 13_665 . ? Ge3 Ge4 O 153(4) 13_665 . ? O Ge4 O 45(4) 22_565 7_564 ? O Ge4 O 81(9) 19_656 7_564 ? O Ge4 O 45(4) 13_665 7_564 ? Ge3 Ge4 O 153(4) 13_665 7_564 ? O Ge4 O 47(6) . 7_564 ? O Ge4 O 81(9) 22_565 10_655 ? O Ge4 O 45(4) 19_656 10_655 ? O Ge4 O 45(4) 13_665 10_655 ? Ge3 Ge4 O 153(4) 13_665 10_655 ? O Ge4 O 47(6) . 10_655 ? O Ge4 O 47(6) 7_564 10_655 ? O Ge4 Ge4 54(5) 22_565 13_665 ? O Ge4 Ge4 54(5) 19_656 13_665 ? O Ge4 Ge4 54(5) 13_665 13_665 ? Ge3 Ge4 Ge4 180.0(11) 13_665 13_665 ? O Ge4 Ge4 27(4) . 13_665 ? O Ge4 Ge4 27(4) 7_564 13_665 ? O Ge4 Ge4 27(4) 10_655 13_665 ? O Ge4 Si9 91(8) 22_565 13_665 ? O Ge4 Si9 175(9) 19_656 13_665 ? O Ge4 Si9 86(8) 13_665 13_665 ? Ge3 Ge4 Si9 57.2(7) 13_665 13_665 ? O Ge4 Si9 134(6) . 13_665 ? O Ge4 Si9 96(4) 7_564 13_665 ? O Ge4 Si9 130(6) 10_655 13_665 ? Ge4 Ge4 Si9 122.8(7) 13_665 13_665 ? O Ge4 Si9 86(8) 22_565 22_565 ? O Ge4 Si9 91(8) 19_656 22_565 ? O Ge4 Si9 175(9) 13_665 22_565 ? Ge3 Ge4 Si9 57.2(7) 13_665 22_565 ? O Ge4 Si9 96(4) . 22_565 ? O Ge4 Si9 130(6) 7_564 22_565 ? O Ge4 Si9 134(6) 10_655 22_565 ? Ge4 Ge4 Si9 122.7(7) 13_665 22_565 ? Si9 Ge4 Si9 93.5(9) 13_665 22_565 ? O Ge4 Si9 175(9) 22_565 19_656 ? O Ge4 Si9 86(8) 19_656 19_656 ? O Ge4 Si9 91(8) 13_665 19_656 ? Ge3 Ge4 Si9 57.2(7) 13_665 19_656 ? O Ge4 Si9 130(6) . 19_656 ? O Ge4 Si9 134(6) 7_564 19_656 ? O Ge4 Si9 96(4) 10_655 19_656 ? Ge4 Ge4 Si9 122.8(7) 13_665 19_656 ? Si9 Ge4 Si9 93.5(9) 13_665 19_656 ? Si9 Ge4 Si9 93.5(9) 22_565 19_656 ? C96 Si9 C91 99(4) . . ? C96 Si9 C93 47(4) . . ? C91 Si9 C93 53(4) . . ? C96 Si9 C95 121(4) . . ? C91 Si9 C95 130(4) . . ? C93 Si9 C95 143(5) . . ? C96 Si9 C92 64(4) . . ? C91 Si9 C92 143(5) . . ? C93 Si9 C92 98(5) . . ? C95 Si9 C92 58(4) . . ? C96 Si9 C94 113(5) . . ? C91 Si9 C94 34(4) . . ? C93 Si9 C94 68(5) . . ? C95 Si9 C94 99(6) . . ? C92 Si9 C94 120(5) . . ? C96 Si9 Ge3 117(4) . . ? C91 Si9 Ge3 85(3) . . ? C93 Si9 Ge3 117(4) . . ? C95 Si9 Ge3 100(3) . . ? C92 Si9 Ge3 132(4) . . ? C94 Si9 Ge3 104(4) . . ? C96 Si9 Ge4 107(4) . 13_665 ? C91 Si9 Ge4 106(3) . 13_665 ? C93 Si9 Ge4 127(4) . 13_665 ? C95 Si9 Ge4 90(3) . 13_665 ? C92 Si9 Ge4 110(4) . 13_665 ? C94 Si9 Ge4 126(4) . 13_665 ? Ge3 Si9 Ge4 22.1(5) . 13_665 ? Ge4 O O 101(7) 13_665 22_565 ? Ge4 O O 101(7) 13_665 19_656 ? O O O 67(7) 22_565 19_656 ? Ge4 O O 46(4) 13_665 7_564 ? O O O 57(3) 22_565 7_564 ? O O O 90.00(4) 19_656 7_564 ? Ge4 O O 46(4) 13_665 10_655 ? O O O 90.000(16) 22_565 10_655 ? O O O 57(3) 19_656 10_655 ? O O O 60.000(12) 7_564 10_655 ? Ge4 O Ge4 99(9) 13_665 . ? O O Ge4 34(3) 22_565 . ? O O Ge4 34(3) 19_656 . ? O O Ge4 67(3) 7_564 . ? O O Ge4 67(3) 10_655 . ? Ge4 O Ge3 27.0(18) 13_665 . ? O O Ge3 123(7) 22_565 . ? O O Ge3 123(7) 19_656 . ? O O Ge3 67(3) 7_564 . ? O O Ge3 67(3) 10_655 . ? Ge4 O Ge3 126(8) . . ? _diffrn_measured_fraction_theta_max 0.971 _diffrn_reflns_theta_full 20.82 _diffrn_measured_fraction_theta_full 0.971 _refine_diff_density_max 1.561 _refine_diff_density_min -0.592 _refine_diff_density_rms 0.154 #===end data_8 # 1. SUBMISSION DETAILS _publ_contact_author ; Gerald Linti Institut f\"ur anorganische Chemie Universit\"at Karlsruhe Engesserstr. Geb. 30.45 76128 Karlsruhe Bundesrepublik Deutschland ; _publ_contact_author_phone '0721 608 2822' _publ_contact_author_fax '0721 608 4854' _publ_contact_author_email linti@achpc9.chemie.uni-karlsruhe.de _publ_requested_journal 'Chem. Commun.' # 3. TITLE AND AUTHOR LIST _publ_section_title ; On the Chemistry of Gallium, 16 A Facile Synthesis and Crystal Structure of a Ga22R8 Cluster ; loop_ _publ_author_name _publ_author_address 'Gerald Linti' ; Institut f\"ur anorganische Chemie Universit\"at Karlsruhe Engesserstr. Geb. 30.45 76128 Karlsruhe Bundesrepublik Deutschland ; 'Alexander Rodig' ; Institut f\"ur anorganische Chemie Universit\"at Karlsruhe Engesserstr. Geb. 30.45 76128 Karlsruhe Bundesrepublik Deutschland ; _publ_manuscript_creation 'RTF-File by CIFRTF (H.Schwenk 1996)' _audit_creation_method 'SHELXL-CIF-file updated by CIFRTF' _chemical_name_systematic ; Ga22hypergermyl)8 ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C72 H216 Ga22 Ge8.25 Si24' _chemical_formula_weight 3889.32 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' 'Si' 'Si' 0.0817 0.0704 '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' 'Ge' 'Ge' 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M Pmmn loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y+1/2, z' '-x, y+1/2, -z' 'x+1/2, -y, -z' '-x, -y, -z' 'x-1/2, y-1/2, -z' 'x, -y-1/2, z' '-x-1/2, y, z' _cell_length_a 24.012(3) _cell_length_b 24.615(2) _cell_length_c 16.0590(12) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 9491.8(14) _cell_formula_units_Z 2 _cell_measurement_temperature 199(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description plate _exptl_crystal_colour black _exptl_crystal_size_max .2 _exptl_crystal_size_mid .1 _exptl_crystal_size_min .02 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.361 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3860 _exptl_absorpt_coefficient_mu 4.519 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; Diffractometer operator D. Fenske Crystal mounted in mineral oil ; _diffrn_ambient_temperature 199(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 'STOE IPDS' _diffrn_measurement_method IPDS _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time 0 _diffrn_standards_decay_% ? _diffrn_reflns_number 16797 _diffrn_reflns_av_R_equivalents 0.1392 _diffrn_reflns_av_sigmaI/netI 0.1381 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_h_max 24 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 2.12 _diffrn_reflns_theta_max 21.00 _reflns_number_total 4661 _reflns_number_gt 2160 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'XSTEP (Ver. 2.00)' _computing_cell_refinement 'XSTEP (Ver. 2.00)' _computing_data_reduction 'XSTEP (Ver. 2.00)' _computing_structure_solution 'XS (Siemens)' _computing_structure_refinement 'SHELXL (Sheldrick 1997)' _computing_molecular_graphics 'XP (SHELXTL-Plus)' _computing_publication_material 'SHELXL (Sheldrick 1997)' _refine_special_details ; Only the central Ge atom of the higly disordered Ge(SiMe3)4 is used in the refinement 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^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary 'direct methods' _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geometrically _refine_ls_hydrogen_treatment 'mixed ' _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4661 _refine_ls_number_parameters 366 _refine_ls_number_restraints 38 _refine_ls_R_factor_all 0.1801 _refine_ls_R_factor_gt 0.0878 _refine_ls_wR_factor_ref 0.2444 _refine_ls_wR_factor_gt 0.1989 _refine_ls_goodness_of_fit_ref 1.112 _refine_ls_restrained_S_all 1.109 _refine_ls_shift/su_max 0.868 _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 0.23599(15) 0.7500 -0.1119(3) 0.065(2) Uani 0.50 2 d SP . . Ga2 Ga 0.10797(11) 0.7500 0.0102(2) 0.1120(13) Uani 1 2 d SD . . Ga3 Ga 0.2500 0.61249(13) 0.02059(17) 0.0773(9) Uani 1 2 d SD . . Ga4 Ga 0.16479(18) 0.6461(2) -0.2387(4) 0.115(2) Uani 0.50 1 d PD . 1 Ga5 Ga 0.1456(2) 0.6545(3) -0.2445(3) 0.106(2) Uani 0.50 1 d PD . 2 Ga9 Ga 0.1739(2) 0.6690(4) -0.0539(5) 0.069(3) Uani 0.25 1 d P . . Ga10 Ga 0.1776(4) 0.6563(7) -0.0974(7) 0.136(5) Uani 0.25 1 d P . . Ga11 Ga 0.1646(2) 0.7500 -0.2561(3) 0.0777(17) Uani 0.50 2 d SP . . Ga12 Ga 0.19224(15) 0.69481(19) 0.0301(2) 0.0738(12) Uani 0.50 1 d P . . Ga13 Ga 0.21824(18) 0.6298(2) -0.1232(3) 0.1018(18) Uani 0.50 1 d P . . Ga14 Ga 0.1400(2) 0.7500 -0.1707(5) 0.112(3) Uani 0.50 2 d SP . . Ga16 Ga 0.12784(12) 0.69684(18) -0.1150(2) 0.0670(11) Uani 0.50 1 d P . . Ga17 Ga 0.2500 0.6922(2) -0.2647(2) 0.1344(16) Uani 1 2 d S . . Ga19 Ga 0.2162(3) 0.7266(4) 0.0537(5) 0.065(3) Uani 0.25 1 d P . . Ge2 Ge 0.02560(11) 0.7500 0.0992(2) 0.1080(12) Uani 1 2 d SD . . Ge3 Ge 0.2500 0.53325(11) 0.10990(15) 0.0666(7) Uani 1 2 d SD . . Ge4 Ge 0.10732(19) 0.5862(3) -0.3239(4) 0.118(2) Uani 0.50 1 d PD . 1 Ge5 Ge 0.0870(2) 0.6003(3) -0.3348(3) 0.107(2) Uani 0.50 1 d PD . 2 Si21 Si 0.0540(4) 0.7500 0.2396(7) 0.142(4) Uani 1 2 d SD . . Si22 Si -0.0275(2) 0.6729(4) 0.0664(6) 0.156(3) Uani 1 1 d D . . Si31 Si 0.1905(3) 0.4673(5) 0.0483(6) 0.094(4) Uani 0.50 1 d PD . . Si32 Si 0.2139(4) 0.5620(5) 0.2409(7) 0.099(4) Uani 0.50 1 d PD . . Si33 Si 0.3399(3) 0.4943(5) 0.1287(6) 0.095(4) Uani 0.50 1 d PD . . Si41 Si 0.1305(5) 0.4943(6) -0.3277(8) 0.132(5) Uani 0.50 1 d PD . 1 Si42 Si 0.0115(4) 0.5932(5) -0.2740(7) 0.105(4) Uani 0.50 1 d PD . 1 Si43 Si 0.1051(6) 0.6279(9) -0.4662(12) 0.169(8) Uani 0.50 1 d PD . 1 Si51 Si -0.0059(6) 0.6409(8) -0.3377(11) 0.194(10) Uani 0.50 1 d PD . 2 Si52 Si 0.0830(5) 0.5195(7) -0.2648(10) 0.159(7) Uani 0.50 1 d PD . 2 Si53 Si 0.1278(6) 0.6014(7) -0.4613(13) 0.162(8) Uani 0.50 1 d PD . 2 C21A C 0.0085(13) 0.7050(16) 0.305(2) 0.36(3) Uiso 1 1 d D . . H21A H 0.0216 0.7056 0.3626 0.534 Uiso 1 1 calc R . . H21B H 0.0101 0.6678 0.2834 0.534 Uiso 1 1 calc R . . H21C H -0.0300 0.7182 0.3026 0.534 Uiso 1 1 calc R . . C21B C 0.1284(7) 0.7500 0.261(3) 0.195(18) Uiso 1 2 d SD . . H21D H 0.1346 0.7500 0.3210 0.292 Uiso 1 2 calc SR . . H21E H 0.1453 0.7825 0.2362 0.292 Uiso 0.50 1 calc PR . . H21F H 0.1453 0.7175 0.2362 2(243) Uiso 0.00 1 calc PR . . C22A C -0.0563(14) 0.678(2) -0.0410(13) 0.31(2) Uiso 1 1 d D . . H22A H -0.0783 0.6450 -0.0531 0.467 Uiso 1 1 calc R . . H22B H -0.0256 0.6803 -0.0811 0.467 Uiso 1 1 calc R . . H22C H -0.0800 0.7098 -0.0455 0.467 Uiso 1 1 calc R . . C22B C -0.0916(7) 0.6675(15) 0.1278(16) 0.195(12) Uiso 1 1 d D . . H22D H -0.1121 0.6349 0.1110 0.293 Uiso 1 1 calc R . . H22E H -0.1148 0.6997 0.1182 0.293 Uiso 1 1 calc R . . H22F H -0.0822 0.6651 0.1871 0.293 Uiso 1 1 calc R . . C22C C 0.0138(10) 0.6097(9) 0.075(2) 0.227(14) Uiso 1 1 d D . . H22G H -0.0096 0.5785 0.0606 0.340 Uiso 1 1 calc R . . H22H H 0.0274 0.6057 0.1322 0.340 Uiso 1 1 calc R . . H22I H 0.0456 0.6115 0.0368 0.340 Uiso 1 1 calc R . . C31A C 0.1269(9) 0.4989(15) 0.003(2) 0.085(11) Uiso 0.50 1 d PD . . C31B C 0.2264(9) 0.4338(17) -0.0409(17) 0.096(13) Uiso 0.50 1 d PD . . C31C C 0.1695(17) 0.4134(14) 0.123(2) 0.147(19) Uiso 0.50 1 d PD . . C32A C 0.2500 0.6237(9) 0.283(2) 0.132(10) Uiso 1 2 d SD . . C32B C 0.2237(13) 0.5131(15) 0.328(2) 0.136(18) Uiso 0.50 1 d PD . . C32C C 0.1363(7) 0.572(2) 0.228(3) 0.108(12) Uiso 0.50 1 d PD . . C33A C 0.3364(14) 0.4227(9) 0.164(3) 0.104(12) Uiso 0.50 1 d PD . . C33B C 0.3821(12) 0.498(2) 0.0320(16) 0.114(16) Uiso 0.50 1 d PD . . C33C C 0.3794(10) 0.5346(14) 0.2077(17) 0.086(10) Uiso 0.50 1 d PD . . C41C C 0.0788(13) 0.4411(15) -0.357(3) 0.17(2) Uiso 0.50 1 d PD . 1 H41A H 0.0961 0.4052 -0.3525 0.251 Uiso 0.50 1 calc PR . 1 H41B H 0.0662 0.4472 -0.4141 0.251 Uiso 0.50 1 calc PR . 1 H41C H 0.0468 0.4431 -0.3190 0.251 Uiso 0.50 1 calc PR . 1 C41B C 0.164(2) 0.490(5) -0.4321(19) 0.31(5) Uiso 0.50 1 d PD . 1 H41D H 0.1784 0.4534 -0.4410 0.468 Uiso 0.50 1 calc PR . 1 H41E H 0.1948 0.5163 -0.4351 0.468 Uiso 0.50 1 calc PR . 1 H41F H 0.1365 0.4987 -0.4752 0.468 Uiso 0.50 1 calc PR . 1 C41A C 0.1580(16) 0.491(3) -0.2195(15) 0.16(2) Uiso 0.50 1 d PD . 1 H41G H 0.1720 0.4547 -0.2081 0.247 Uiso 0.50 1 calc PR . 1 H41H H 0.1281 0.5001 -0.1803 0.247 Uiso 0.50 1 calc PR . 1 H41I H 0.1883 0.5176 -0.2133 0.247 Uiso 0.50 1 calc PR . 1 C42A C 0.0076(14) 0.5589(16) -0.1718(15) 0.108(12) Uiso 0.50 1 d PD . 1 H42A H -0.0304 0.5615 -0.1501 0.162 Uiso 0.50 1 calc PR . 1 H42B H 0.0334 0.5764 -0.1329 0.162 Uiso 0.50 1 calc PR . 1 H42C H 0.0178 0.5206 -0.1783 0.162 Uiso 0.50 1 calc PR . 1 C42B C -0.0344(13) 0.5519(18) -0.343(3) 0.157(19) Uiso 0.50 1 d PD . 1 H42D H -0.0730 0.5543 -0.3232 0.236 Uiso 0.50 1 calc PR . 1 H42E H -0.0223 0.5139 -0.3418 0.236 Uiso 0.50 1 calc PR . 1 H42F H -0.0322 0.5657 -0.4000 0.236 Uiso 0.50 1 calc PR . 1 C42C C -0.015(2) 0.6626(11) -0.250(4) 0.19(3) Uiso 0.50 1 d PD . 1 H42G H -0.0546 0.6605 -0.2356 0.278 Uiso 0.50 1 calc PR . 1 H42H H -0.0101 0.6860 -0.2986 0.278 Uiso 0.50 1 calc PR . 1 H42I H 0.0058 0.6776 -0.2027 0.278 Uiso 0.50 1 calc PR . 1 C43A C 0.0592(15) 0.587(2) -0.535(3) 0.18(2) Uiso 0.50 1 d PD . 1 H43A H 0.0643 0.5982 -0.5926 0.266 Uiso 0.50 1 calc PR . 1 H43B H 0.0203 0.5924 -0.5183 0.266 Uiso 0.50 1 calc PR . 1 H43C H 0.0688 0.5484 -0.5290 0.266 Uiso 0.50 1 calc PR . 1 C43C C 0.1773(16) 0.650(8) -0.440(18) 2.0(13) Uiso 0.50 1 d PD . 1 H43D H 0.1993 0.6525 -0.4916 3.000 Uiso 0.50 1 calc PR . 1 H43E H 0.1944 0.6233 -0.4029 3.000 Uiso 0.50 1 calc PR . 1 H43F H 0.1762 0.6855 -0.4130 3.000 Uiso 0.50 1 calc PR . 1 C43B C 0.1760(10) 0.650(2) -0.498(3) 0.138(17) Uiso 0.50 1 d PD . 1 H43G H 0.1756 0.6613 -0.5564 0.207 Uiso 0.50 1 calc PR . 1 H43H H 0.2023 0.6202 -0.4904 0.207 Uiso 0.50 1 calc PR . 1 H43I H 0.1876 0.6810 -0.4632 0.207 Uiso 0.50 1 calc PR . 1 C51A C -0.0560(13) 0.5849(14) -0.359(3) 0.145(17) Uiso 0.50 1 d PD . 2 H51A H -0.0939 0.5995 -0.3606 0.218 Uiso 0.50 1 calc PR . 2 H51B H -0.0531 0.5573 -0.3157 0.218 Uiso 0.50 1 calc PR . 2 H51C H -0.0472 0.5685 -0.4135 0.218 Uiso 0.50 1 calc PR . 2 C51B C -0.026(3) 0.689(2) -0.253(3) 0.29(5) Uiso 0.50 1 d PD . 2 H51D H -0.0645 0.7010 -0.2628 0.431 Uiso 0.50 1 calc PR . 2 H51E H -0.0010 0.7199 -0.2535 0.431 Uiso 0.50 1 calc PR . 2 H51F H -0.0239 0.6700 -0.1996 0.431 Uiso 0.50 1 calc PR . 2 C51C C -0.004(4) 0.680(3) -0.437(3) 0.41(7) Uiso 0.50 1 d PD . 2 H51G H -0.0399 0.6982 -0.4454 0.616 Uiso 0.50 1 calc PR . 2 H51H H 0.0035 0.6555 -0.4833 0.616 Uiso 0.50 1 calc PR . 2 H51I H 0.0255 0.7077 -0.4338 0.616 Uiso 0.50 1 calc PR . 2 C52A C 0.1501(16) 0.482(3) -0.257(8) 0.39(8) Uiso 0.50 1 d PD . 2 H52A H 0.1435 0.4464 -0.2315 0.580 Uiso 0.50 1 calc PR . 2 H52B H 0.1760 0.5028 -0.2219 0.580 Uiso 0.50 1 calc PR . 2 H52C H 0.1660 0.4774 -0.3124 0.580 Uiso 0.50 1 calc PR . 2 C52B C 0.0354(14) 0.528(3) -0.174(2) 0.16(2) Uiso 0.50 1 d PD . 2 H52D H 0.0330 0.4937 -0.1435 0.246 Uiso 0.50 1 calc PR . 2 H52E H -0.0017 0.5383 -0.1941 0.246 Uiso 0.50 1 calc PR . 2 H52F H 0.0498 0.5565 -0.1376 0.246 Uiso 0.50 1 calc PR . 2 C52C C 0.0517(17) 0.4701(17) -0.340(3) 0.18(2) Uiso 0.50 1 d PD . 2 H52G H 0.0491 0.4342 -0.3137 0.266 Uiso 0.50 1 calc PR . 2 H52H H 0.0752 0.4677 -0.3897 0.266 Uiso 0.50 1 calc PR . 2 H52I H 0.0143 0.4824 -0.3558 0.266 Uiso 0.50 1 calc PR . 2 C53A C 0.2010(13) 0.581(4) -0.439(6) 0.30(5) Uiso 0.50 1 d PD . 2 H53A H 0.2234 0.5850 -0.4894 0.456 Uiso 0.50 1 calc PR . 2 H53B H 0.2019 0.5434 -0.4199 0.456 Uiso 0.50 1 calc PR . 2 H53C H 0.2162 0.6048 -0.3951 0.456 Uiso 0.50 1 calc PR . 2 C53B C 0.105(3) 0.548(2) -0.536(4) 0.34(5) Uiso 0.50 1 d PD . 2 H53D H 0.1283 0.5497 -0.5858 0.506 Uiso 0.50 1 calc PR . 2 H53E H 0.0661 0.5538 -0.5505 0.506 Uiso 0.50 1 calc PR . 2 H53F H 0.1094 0.5122 -0.5095 0.506 Uiso 0.50 1 calc PR . 2 C53C C 0.1484(15) 0.6708(10) -0.494(2) 0.109(12) Uiso 0.50 1 d PD . 2 H53G H 0.1707 0.6687 -0.5447 0.163 Uiso 0.50 1 calc PR . 2 H53H H 0.1705 0.6877 -0.4494 0.163 Uiso 0.50 1 calc PR . 2 H53I H 0.1150 0.6926 -0.5040 0.163 Uiso 0.50 1 calc PR . 2 Ge Ge 0.2500 0.2500 -0.4946(11) 0.092(5) Uani 0.25 4 d SP . . 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 0.073(5) 0.093(5) 0.030(2) 0.000 -0.0044(18) 0.000 Ga2 0.1057(17) 0.103(3) 0.127(3) 0.000 -0.0411(17) 0.000 Ga3 0.0992(15) 0.069(2) 0.0642(18) 0.0089(16) 0.000 0.000 Ga4 0.085(3) 0.078(4) 0.184(6) -0.040(4) 0.022(3) -0.028(2) Ga5 0.089(3) 0.162(6) 0.069(3) 0.034(3) -0.031(2) -0.046(3) Ga9 0.053(3) 0.081(6) 0.071(6) 0.045(5) 0.020(3) 0.025(3) Ga10 0.108(6) 0.208(14) 0.092(9) 0.103(8) -0.039(5) -0.065(7) Ga11 0.120(3) 0.085(5) 0.029(3) 0.000 -0.010(2) 0.000 Ga12 0.113(2) 0.071(3) 0.038(2) 0.009(2) 0.0128(18) 0.045(2) Ga13 0.144(3) 0.063(4) 0.099(4) -0.021(3) -0.070(2) 0.027(2) Ga14 0.089(3) 0.123(7) 0.124(6) 0.000 -0.039(3) 0.000 Ga16 0.0811(17) 0.079(3) 0.041(2) 0.003(2) -0.0023(15) -0.0136(17) Ga17 0.138(2) 0.180(5) 0.085(2) -0.062(3) 0.000 0.000 Ga19 0.078(3) 0.073(9) 0.044(4) -0.009(4) 0.003(3) -0.006(3) Ge2 0.1116(17) 0.091(3) 0.121(3) 0.000 -0.0286(16) 0.000 Ge3 0.0740(12) 0.063(2) 0.0627(16) 0.0064(15) 0.000 0.000 Ge4 0.110(3) 0.108(5) 0.137(5) -0.007(4) 0.008(3) -0.037(3) Ge5 0.106(3) 0.136(6) 0.078(3) 0.025(3) -0.047(2) -0.046(3) Si21 0.176(7) 0.113(11) 0.136(9) 0.000 -0.041(6) 0.000 Si22 0.117(4) 0.141(8) 0.210(9) -0.057(7) 0.004(4) -0.016(4) Si31 0.084(5) 0.104(11) 0.093(8) 0.001(7) -0.014(5) -0.006(5) Si32 0.124(6) 0.087(12) 0.086(9) 0.002(8) 0.025(6) 0.016(6) Si33 0.083(5) 0.106(11) 0.096(9) 0.007(7) -0.012(5) -0.012(5) Si41 0.150(8) 0.093(13) 0.153(13) -0.030(10) 0.049(8) -0.015(8) Si42 0.097(6) 0.103(12) 0.116(10) -0.020(8) -0.016(6) -0.019(6) Si43 0.246(16) 0.13(2) 0.130(15) 0.012(13) -0.029(12) -0.069(14) Si51 0.168(12) 0.22(3) 0.19(2) -0.003(19) -0.040(12) -0.008(13) Si52 0.189(11) 0.104(15) 0.183(17) -0.003(12) -0.012(11) -0.060(10) Si53 0.184(12) 0.108(18) 0.193(19) 0.016(14) 0.060(12) -0.041(11) Ge 0.097(8) 0.065(13) 0.115(14) 0.000 0.000 0.000 _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 Ga1 0.673(7) 2_565 ? Ga1 Ga14 2.491(6) . ? Ga1 Ga9 2.659(9) 7_575 ? Ga1 Ga9 2.659(9) . ? Ga1 Ga10 2.709(13) . ? Ga1 Ga10 2.709(13) 7_575 ? Ga1 Ga19 2.762(9) 7_575 ? Ga1 Ga19 2.762(9) . ? Ga1 Ga12 2.855(5) . ? Ga1 Ga12 2.855(5) 7_575 ? Ga1 Ga17 2.856(5) . ? Ga1 Ga17 2.856(5) 2_565 ? Ga2 Ge2 2.440(4) . ? Ga2 Ga16 2.447(5) . ? Ga2 Ga16 2.447(5) 7_575 ? Ga2 Ga12 2.458(4) 7_575 ? Ga2 Ga12 2.458(4) . ? Ga2 Ga9 2.746(8) . ? Ga2 Ga9 2.746(8) 7_575 ? Ga2 Ga19 2.752(7) 7_575 ? Ga2 Ga19 2.752(7) . ? Ga2 Ga14 3.005(8) . ? Ga3 Ge3 2.421(4) . ? Ga3 Ga12 2.460(5) 8_655 ? Ga3 Ga12 2.460(5) . ? Ga3 Ga13 2.469(5) . ? Ga3 Ga13 2.469(5) 8_655 ? Ga3 Ga9 2.589(7) . ? Ga3 Ga9 2.589(7) 8_655 ? Ga3 Ga10 2.788(11) . ? Ga3 Ga10 2.788(11) 8_655 ? Ga3 Ga19 2.971(9) 8_655 ? Ga3 Ga19 2.971(9) . ? Ga4 Ga13 2.291(8) . ? Ga4 Ga10 2.305(14) . ? Ga4 Ga17 2.377(6) . ? Ga4 Ge4 2.438(7) . ? Ga4 Ga16 2.509(7) . ? Ga4 Ga11 2.573(6) . ? Ga4 Ga14 2.845(7) . ? Ga5 Ga16 2.365(7) . ? Ga5 Ga11 2.403(7) . ? Ga5 Ge5 2.422(7) . ? Ga5 Ga10 2.485(12) . ? Ga5 Ga14 2.637(8) . ? Ga5 Ga13 2.684(6) . ? Ga5 Ga17 2.693(5) . ? Ga9 Ga10 0.770(15) . ? Ga9 Ga12 1.554(9) . ? Ga9 Ga16 1.631(8) . ? Ga9 Ga13 1.818(9) . ? Ga9 Ga19 2.454(12) . ? Ga9 Ga14 2.856(9) . ? Ga9 Ga13 2.980(7) 8_655 ? Ga10 Ga13 1.245(14) . ? Ga10 Ga16 1.583(14) . ? Ga10 Ga12 2.282(14) . ? Ga10 Ga13 2.618(14) 8_655 ? Ga10 Ga14 2.743(15) . ? Ga11 Ga14 1.494(9) . ? Ga11 Ga5 2.403(7) 7_575 ? Ga11 Ga17 2.500(5) 2_565 ? Ga11 Ga17 2.500(5) . ? Ga11 Ga4 2.573(6) 7_575 ? Ga11 Ga16 2.761(6) 7_575 ? Ga11 Ga16 2.761(6) . ? Ga12 Ga19 1.042(8) . ? Ga12 Ga19 2.054(10) 7_575 ? Ga12 Ga19 2.364(8) 8_655 ? Ga12 Ga12 2.717(10) 7_575 ? Ga12 Ga12 2.774(7) 8_655 ? Ga12 Ga16 2.797(5) . ? Ga12 Ga19 2.954(9) 2_565 ? Ga13 Ga13 1.525(8) 8_655 ? Ga13 Ga10 2.618(14) 8_655 ? Ga13 Ga16 2.730(6) . ? Ga13 Ga17 2.847(7) . ? Ga13 Ga9 2.980(7) 8_655 ? Ga14 Ga16 1.611(6) 7_575 ? Ga14 Ga16 1.611(6) . ? Ga14 Ga5 2.637(8) 7_575 ? Ga14 Ga10 2.743(15) 7_575 ? Ga14 Ga4 2.845(7) 7_575 ? Ga14 Ga9 2.856(9) 7_575 ? Ga16 Ga16 2.617(9) 7_575 ? Ga17 Ga4 2.377(6) 8_655 ? Ga17 Ga11 2.500(5) 2_565 ? Ga17 Ga5 2.693(5) 8_655 ? Ga17 Ga17 2.844(10) 2_565 ? Ga17 Ga13 2.847(7) 8_655 ? Ga17 Ga1 2.856(5) 2_565 ? Ga19 Ga19 1.153(17) 7_575 ? Ga19 Ga19 1.624(13) 8_655 ? Ga19 Ga19 1.992(14) 2_565 ? Ga19 Ga12 2.054(10) 7_575 ? Ga19 Ga12 2.364(8) 8_655 ? Ga19 Ga1 2.954(8) 2_565 ? Ga19 Ga12 2.954(9) 2_565 ? Ge2 Si22 2.346(8) . ? Ge2 Si22 2.346(8) 7_575 ? Ge2 Si21 2.355(11) . ? Ge3 Si31 2.378(11) . ? Ge3 Si31 2.378(11) 8_655 ? Ge3 Si33 2.380(9) 8_655 ? Ge3 Si33 2.380(9) . ? Ge3 Si32 2.383(12) 8_655 ? Ge3 Si32 2.383(12) . ? Ge4 Si41 2.332(17) . ? Ge4 Si42 2.443(11) . ? Ge4 Si43 2.50(2) . ? Ge5 Si53 2.25(2) . ? Ge5 Si52 2.286(18) . ? Ge5 Si51 2.443(17) . ? Si21 C21B 1.818(17) . ? Si21 C21A 1.876(19) 7_575 ? Si21 C21A 1.876(19) . ? Si22 C22B 1.834(16) . ? Si22 C22C 1.849(17) . ? Si22 C22A 1.862(18) . ? Si31 Si33 1.625(14) 8_655 ? Si31 C31A 1.862(17) . ? Si31 C31C 1.863(19) . ? Si31 C31B 1.864(18) . ? Si31 C33B 1.92(3) 8_655 ? Si31 C33A 2.25(4) 8_655 ? Si32 Si32 1.733(18) 8_655 ? Si32 C32B 1.856(19) . ? Si32 C32A 1.874(17) . ? Si32 C32C 1.891(16) . ? Si32 C32B 2.37(3) 8_655 ? Si32 C33C 2.40(3) 8_655 ? Si32 Si33 2.772(16) 8_655 ? Si33 Si31 1.625(14) 8_655 ? Si33 C33A 1.853(18) . ? Si33 C33B 1.858(18) . ? Si33 C33C 1.869(18) . ? Si33 C31C 2.01(4) 8_655 ? Si33 C31A 2.17(3) 8_655 ? Si33 Si32 2.772(16) 8_655 ? Si41 C41A 1.859(19) . ? Si41 C41B 1.862(19) . ? Si41 C41C 1.864(19) . ? Si42 C42A 1.848(18) . ? Si42 C42C 1.863(19) . ? Si42 C42B 1.864(19) . ? Si43 C43A 1.855(19) . ? Si43 C43B 1.861(18) . ? Si43 C43C 1.86(2) . ? Si51 C51B 1.86(2) . ? Si51 C51A 1.862(19) . ? Si51 C51C 1.86(2) . ? Si52 C52A 1.86(2) . ? Si52 C52B 1.861(19) . ? Si52 C52C 1.871(19) . ? Si53 C53C 1.853(18) . ? Si53 C53B 1.86(2) . ? Si53 C53A 1.86(2) . ? C31A C33B 0.51(5) 8_655 ? C31A Si33 2.17(3) 8_655 ? C31B C31B 1.13(4) 8_655 ? C31C C33A 0.70(6) 8_655 ? C31C Si33 2.01(4) 8_655 ? C32B C32B 1.26(6) 8_655 ? C32B Si32 2.37(3) 8_655 ? C32C C33C 1.04(5) 8_655 ? C33A C31C 0.70(6) 8_655 ? C33A Si31 2.25(4) 8_655 ? C33B C31A 0.51(5) 8_655 ? C33B Si31 1.92(4) 8_655 ? C33C C32C 1.04(5) 8_655 ? C33C Si32 2.40(3) 8_655 ? 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 Ga1 Ga1 Ga14 157.8(2) 2_565 . ? Ga1 Ga1 Ga9 124.11(16) 2_565 7_575 ? Ga14 Ga1 Ga9 67.3(2) . 7_575 ? Ga1 Ga1 Ga9 124.11(16) 2_565 . ? Ga14 Ga1 Ga9 67.3(2) . . ? Ga9 Ga1 Ga9 97.2(3) 7_575 . ? Ga1 Ga1 Ga10 121.2(3) 2_565 . ? Ga14 Ga1 Ga10 63.5(3) . . ? Ga9 Ga1 Ga10 108.5(3) 7_575 . ? Ga9 Ga1 Ga10 16.5(3) . . ? Ga1 Ga1 Ga10 121.2(3) 2_565 7_575 ? Ga14 Ga1 Ga10 63.5(3) . 7_575 ? Ga9 Ga1 Ga10 16.5(3) 7_575 7_575 ? Ga9 Ga1 Ga10 108.5(3) . 7_575 ? Ga10 Ga1 Ga10 116.7(6) . 7_575 ? Ga1 Ga1 Ga19 99.91(15) 2_565 7_575 ? Ga14 Ga1 Ga19 101.8(3) . 7_575 ? Ga9 Ga1 Ga19 53.8(3) 7_575 7_575 ? Ga9 Ga1 Ga19 73.9(3) . 7_575 ? Ga10 Ga1 Ga19 90.3(3) . 7_575 ? Ga10 Ga1 Ga19 69.5(3) 7_575 7_575 ? Ga1 Ga1 Ga19 99.91(15) 2_565 . ? Ga14 Ga1 Ga19 101.8(3) . . ? Ga9 Ga1 Ga19 73.9(3) 7_575 . ? Ga9 Ga1 Ga19 53.8(3) . . ? Ga10 Ga1 Ga19 69.5(3) . . ? Ga10 Ga1 Ga19 90.3(3) 7_575 . ? Ga19 Ga1 Ga19 24.1(4) 7_575 . ? Ga1 Ga1 Ga12 111.60(10) 2_565 . ? Ga14 Ga1 Ga12 87.8(2) . . ? Ga9 Ga1 Ga12 82.6(2) 7_575 . ? Ga9 Ga1 Ga12 32.5(2) . . ? Ga10 Ga1 Ga12 48.4(3) . . ? Ga10 Ga1 Ga12 98.4(3) 7_575 . ? Ga19 Ga1 Ga12 42.9(2) 7_575 . ? Ga19 Ga1 Ga12 21.30(17) . . ? Ga1 Ga1 Ga12 111.60(10) 2_565 7_575 ? Ga14 Ga1 Ga12 87.8(2) . 7_575 ? Ga9 Ga1 Ga12 32.5(2) 7_575 7_575 ? Ga9 Ga1 Ga12 82.6(2) . 7_575 ? Ga10 Ga1 Ga12 98.4(3) . 7_575 ? Ga10 Ga1 Ga12 48.4(3) 7_575 7_575 ? Ga19 Ga1 Ga12 21.30(17) 7_575 7_575 ? Ga19 Ga1 Ga12 42.9(2) . 7_575 ? Ga12 Ga1 Ga12 56.8(2) . 7_575 ? Ga1 Ga1 Ga17 83.24(7) 2_565 . ? Ga14 Ga1 Ga17 77.51(19) . . ? Ga9 Ga1 Ga17 137.8(2) 7_575 . ? Ga9 Ga1 Ga17 89.6(2) . . ? Ga10 Ga1 Ga17 73.2(3) . . ? Ga10 Ga1 Ga17 124.0(3) 7_575 . ? Ga19 Ga1 Ga17 162.1(2) 7_575 . ? Ga19 Ga1 Ga17 138.0(2) . . ? Ga12 Ga1 Ga17 119.52(14) . . ? Ga12 Ga1 Ga17 165.15(16) 7_575 . ? Ga1 Ga1 Ga17 83.24(7) 2_565 2_565 ? Ga14 Ga1 Ga17 77.51(19) . 2_565 ? Ga9 Ga1 Ga17 89.6(2) 7_575 2_565 ? Ga9 Ga1 Ga17 137.8(2) . 2_565 ? Ga10 Ga1 Ga17 124.0(3) . 2_565 ? Ga10 Ga1 Ga17 73.2(3) 7_575 2_565 ? Ga19 Ga1 Ga17 138.0(2) 7_575 2_565 ? Ga19 Ga1 Ga17 162.1(2) . 2_565 ? Ga12 Ga1 Ga17 165.15(16) . 2_565 ? Ga12 Ga1 Ga17 119.52(14) 7_575 2_565 ? Ga17 Ga1 Ga17 59.7(2) . 2_565 ? Ge2 Ga2 Ga16 129.77(12) . . ? Ge2 Ga2 Ga16 129.77(12) . 7_575 ? Ga16 Ga2 Ga16 64.7(2) . 7_575 ? Ge2 Ga2 Ga12 126.24(16) . 7_575 ? Ga16 Ga2 Ga12 103.99(16) . 7_575 ? Ga16 Ga2 Ga12 69.55(14) 7_575 7_575 ? Ge2 Ga2 Ga12 126.24(16) . . ? Ga16 Ga2 Ga12 69.55(14) . . ? Ga16 Ga2 Ga12 103.99(16) 7_575 . ? Ga12 Ga2 Ga12 67.1(2) 7_575 . ? Ge2 Ga2 Ga9 133.37(17) . . ? Ga16 Ga2 Ga9 36.02(19) . . ? Ga16 Ga2 Ga9 88.2(2) 7_575 . ? Ga12 Ga2 Ga9 88.6(2) 7_575 . ? Ga12 Ga2 Ga9 34.18(19) . . ? Ge2 Ga2 Ga9 133.37(17) . 7_575 ? Ga16 Ga2 Ga9 88.2(2) . 7_575 ? Ga16 Ga2 Ga9 36.02(19) 7_575 7_575 ? Ga12 Ga2 Ga9 34.18(19) 7_575 7_575 ? Ga12 Ga2 Ga9 88.6(2) . 7_575 ? Ga9 Ga2 Ga9 93.1(3) . 7_575 ? Ge2 Ga2 Ga19 128.1(2) . 7_575 ? Ga16 Ga2 Ga19 97.8(2) . 7_575 ? Ga16 Ga2 Ga19 84.97(19) 7_575 7_575 ? Ga12 Ga2 Ga19 22.2(2) 7_575 7_575 ? Ga12 Ga2 Ga19 46.0(2) . 7_575 ? Ga9 Ga2 Ga19 72.7(2) . 7_575 ? Ga9 Ga2 Ga19 53.0(2) 7_575 7_575 ? Ge2 Ga2 Ga19 128.1(2) . . ? Ga16 Ga2 Ga19 84.97(19) . . ? Ga16 Ga2 Ga19 97.8(2) 7_575 . ? Ga12 Ga2 Ga19 46.0(2) 7_575 . ? Ga12 Ga2 Ga19 22.2(2) . . ? Ga9 Ga2 Ga19 53.0(2) . . ? Ga9 Ga2 Ga19 72.7(2) 7_575 . ? Ga19 Ga2 Ga19 24.2(4) 7_575 . ? Ge2 Ga2 Ga14 140.68(16) . . ? Ga16 Ga2 Ga14 32.36(10) . . ? Ga16 Ga2 Ga14 32.36(10) 7_575 . ? Ga12 Ga2 Ga14 85.12(14) 7_575 . ? Ga12 Ga2 Ga14 85.12(14) . . ? Ga9 Ga2 Ga14 59.36(19) . . ? Ga9 Ga2 Ga14 59.36(19) 7_575 . ? Ga19 Ga2 Ga14 90.2(2) 7_575 . ? Ga19 Ga2 Ga14 90.2(2) . . ? Ge3 Ga3 Ga12 128.82(13) . 8_655 ? Ge3 Ga3 Ga12 128.82(13) . . ? Ga12 Ga3 Ga12 68.6(2) 8_655 . ? Ge3 Ga3 Ga13 133.87(19) . . ? Ga12 Ga3 Ga13 95.17(18) 8_655 . ? Ga12 Ga3 Ga13 75.04(16) . . ? Ge3 Ga3 Ga13 133.87(19) . 8_655 ? Ga12 Ga3 Ga13 75.04(16) 8_655 8_655 ? Ga12 Ga3 Ga13 95.17(18) . 8_655 ? Ga13 Ga3 Ga13 36.0(2) . 8_655 ? Ge3 Ga3 Ga9 134.94(18) . . ? Ga12 Ga3 Ga9 89.1(2) 8_655 . ? Ga12 Ga3 Ga9 35.7(2) . . ? Ga13 Ga3 Ga9 42.1(2) . . ? Ga13 Ga3 Ga9 72.1(2) 8_655 . ? Ge3 Ga3 Ga9 134.94(18) . 8_655 ? Ga12 Ga3 Ga9 35.7(2) 8_655 8_655 ? Ga12 Ga3 Ga9 89.1(2) . 8_655 ? Ga13 Ga3 Ga9 72.1(2) . 8_655 ? Ga13 Ga3 Ga9 42.1(2) 8_655 8_655 ? Ga9 Ga3 Ga9 89.8(3) . 8_655 ? Ge3 Ga3 Ga10 135.6(3) . . ? Ga12 Ga3 Ga10 94.3(3) 8_655 . ? Ga12 Ga3 Ga10 51.1(4) . . ? Ga13 Ga3 Ga10 26.5(3) . . ? Ga13 Ga3 Ga10 59.4(3) 8_655 . ? Ga9 Ga3 Ga10 15.9(4) . . ? Ga9 Ga3 Ga10 85.3(2) 8_655 . ? Ge3 Ga3 Ga10 135.6(3) . 8_655 ? Ga12 Ga3 Ga10 51.1(4) 8_655 8_655 ? Ga12 Ga3 Ga10 94.3(3) . 8_655 ? Ga13 Ga3 Ga10 59.4(3) . 8_655 ? Ga13 Ga3 Ga10 26.5(3) 8_655 8_655 ? Ga9 Ga3 Ga10 85.3(2) . 8_655 ? Ga9 Ga3 Ga10 15.9(4) 8_655 8_655 ? Ga10 Ga3 Ga10 77.1(4) . 8_655 ? Ge3 Ga3 Ga19 130.96(18) . 8_655 ? Ga12 Ga3 Ga19 19.34(14) 8_655 8_655 ? Ga12 Ga3 Ga19 50.55(19) . 8_655 ? Ga13 Ga3 Ga19 95.1(2) . 8_655 ? Ga13 Ga3 Ga19 85.4(2) 8_655 8_655 ? Ga9 Ga3 Ga19 76.6(3) . 8_655 ? Ga9 Ga3 Ga19 51.8(2) 8_655 8_655 ? Ga10 Ga3 Ga19 85.8(4) . 8_655 ? Ga10 Ga3 Ga19 65.5(4) 8_655 8_655 ? Ge3 Ga3 Ga19 130.96(18) . . ? Ga12 Ga3 Ga19 50.55(19) 8_655 . ? Ga12 Ga3 Ga19 19.34(14) . . ? Ga13 Ga3 Ga19 85.4(2) . . ? Ga13 Ga3 Ga19 95.1(2) 8_655 . ? Ga9 Ga3 Ga19 51.8(2) . . ? Ga9 Ga3 Ga19 76.6(3) 8_655 . ? Ga10 Ga3 Ga19 65.5(4) . . ? Ga10 Ga3 Ga19 85.8(4) 8_655 . ? Ga19 Ga3 Ga19 31.7(2) 8_655 . ? Ga13 Ga4 Ga10 31.4(3) . . ? Ga13 Ga4 Ga17 75.1(2) . . ? Ga10 Ga4 Ga17 90.3(3) . . ? Ga13 Ga4 Ge4 131.7(4) . . ? Ga10 Ga4 Ge4 134.0(4) . . ? Ga17 Ga4 Ge4 132.6(3) . . ? Ga13 Ga4 Ga16 69.2(2) . . ? Ga10 Ga4 Ga16 38.1(4) . . ? Ga17 Ga4 Ga16 101.8(2) . . ? Ge4 Ga4 Ga16 123.0(2) . . ? Ga13 Ga4 Ga11 105.2(3) . . ? Ga10 Ga4 Ga11 89.9(5) . . ? Ga17 Ga4 Ga11 60.5(2) . . ? Ge4 Ga4 Ga11 122.6(3) . . ? Ga16 Ga4 Ga11 65.8(2) . . ? Ga13 Ga4 Ga14 87.9(3) . . ? Ga10 Ga4 Ga14 63.3(5) . . ? Ga17 Ga4 Ga14 79.5(2) . . ? Ge4 Ga4 Ga14 129.8(3) . . ? Ga16 Ga4 Ga14 34.29(17) . . ? Ga11 Ga4 Ga14 31.50(18) . . ? Ga16 Ga5 Ga11 70.8(3) . . ? Ga16 Ga5 Ge5 131.6(3) . . ? Ga11 Ga5 Ge5 127.1(3) . . ? Ga16 Ga5 Ga10 38.0(4) . . ? Ga11 Ga5 Ga10 89.8(4) . . ? Ge5 Ga5 Ga10 139.4(4) . . ? Ga16 Ga5 Ga14 37.1(2) . . ? Ga11 Ga5 Ga14 34.1(2) . . ? Ge5 Ga5 Ga14 136.9(3) . . ? Ga10 Ga5 Ga14 64.7(4) . . ? Ga16 Ga5 Ga13 65.11(19) . . ? Ga11 Ga5 Ga13 98.9(2) . . ? Ge5 Ga5 Ga13 133.4(4) . . ? Ga10 Ga5 Ga13 27.5(3) . . ? Ga14 Ga5 Ga13 84.8(2) . . ? Ga16 Ga5 Ga17 97.0(2) . . ? Ga11 Ga5 Ga17 58.4(2) . . ? Ge5 Ga5 Ga17 131.2(3) . . ? Ga10 Ga5 Ga17 79.7(3) . . ? Ga14 Ga5 Ga17 78.1(2) . . ? Ga13 Ga5 Ga17 63.94(18) . . ? Ga10 Ga9 Ga12 156.9(11) . . ? Ga10 Ga9 Ga16 72.7(13) . . ? Ga12 Ga9 Ga16 122.9(6) . . ? Ga10 Ga9 Ga13 33.0(10) . . ? Ga12 Ga9 Ga13 125.6(4) . . ? Ga16 Ga9 Ga13 104.5(5) . . ? Ga10 Ga9 Ga19 145.5(11) . . ? Ga12 Ga9 Ga19 15.4(3) . . ? Ga16 Ga9 Ga19 117.5(5) . . ? Ga13 Ga9 Ga19 119.7(4) . . ? Ga10 Ga9 Ga3 96.9(13) . . ? Ga12 Ga9 Ga3 67.6(3) . . ? Ga16 Ga9 Ga3 169.4(5) . . ? Ga13 Ga9 Ga3 65.5(2) . . ? Ga19 Ga9 Ga3 72.1(3) . . ? Ga10 Ga9 Ga1 85.5(13) . . ? Ga12 Ga9 Ga1 80.7(4) . . ? Ga16 Ga9 Ga1 81.6(4) . . ? Ga13 Ga9 Ga1 81.7(3) . . ? Ga19 Ga9 Ga1 65.3(3) . . ? Ga3 Ga9 Ga1 99.7(2) . . ? Ga10 Ga9 Ga2 134.5(14) . . ? Ga12 Ga9 Ga2 62.7(3) . . ? Ga16 Ga9 Ga2 61.9(3) . . ? Ga13 Ga9 Ga2 162.3(5) . . ? Ga19 Ga9 Ga2 63.6(3) . . ? Ga3 Ga9 Ga2 128.6(3) . . ? Ga1 Ga9 Ga2 84.8(3) . . ? Ga10 Ga9 Ga14 73.8(14) . . ? Ga12 Ga9 Ga14 111.4(5) . . ? Ga16 Ga9 Ga14 28.0(2) . . ? Ga13 Ga9 Ga14 97.8(4) . . ? Ga19 Ga9 Ga14 100.2(4) . . ? Ga3 Ga9 Ga14 151.6(3) . . ? Ga1 Ga9 Ga14 53.6(2) . . ? Ga2 Ga9 Ga14 64.8(2) . . ? Ga10 Ga9 Ga13 55.2(10) . 8_655 ? Ga12 Ga9 Ga13 102.2(3) . 8_655 ? Ga16 Ga9 Ga13 120.0(4) . 8_655 ? Ga13 Ga9 Ga13 24.51(18) . 8_655 ? Ga19 Ga9 Ga13 95.2(3) . 8_655 ? Ga3 Ga9 Ga13 52.07(16) . 8_655 ? Ga1 Ga9 Ga13 67.94(19) . 8_655 ? Ga2 Ga9 Ga13 151.2(4) . 8_655 ? Ga14 Ga9 Ga13 103.2(3) . 8_655 ? Ga9 Ga10 Ga13 127.3(13) . . ? Ga9 Ga10 Ga16 79.6(14) . . ? Ga13 Ga10 Ga16 149.6(9) . . ? Ga9 Ga10 Ga12 15.5(8) . . ? Ga13 Ga10 Ga12 113.4(6) . . ? Ga16 Ga10 Ga12 90.9(7) . . ? Ga9 Ga10 Ga4 157.2(17) . . ? Ga13 Ga10 Ga4 73.7(7) . . ? Ga16 Ga10 Ga4 78.0(4) . . ? Ga12 Ga10 Ga4 161.6(8) . . ? Ga9 Ga10 Ga5 146.5(16) . . ? Ga13 Ga10 Ga5 85.1(7) . . ? Ga16 Ga10 Ga5 66.9(4) . . ? Ga12 Ga10 Ga5 155.2(8) . . ? Ga4 Ga10 Ga5 11.5(2) . . ? Ga9 Ga10 Ga13 110.8(11) . 8_655 ? Ga13 Ga10 Ga13 21.2(3) . 8_655 ? Ga16 Ga10 Ga13 148.2(7) . 8_655 ? Ga12 Ga10 Ga13 95.7(4) . 8_655 ? Ga4 Ga10 Ga13 86.8(5) . 8_655 ? Ga5 Ga10 Ga13 98.0(5) . 8_655 ? Ga9 Ga10 Ga1 78.1(14) . . ? Ga13 Ga10 Ga1 90.7(6) . . ? Ga16 Ga10 Ga1 80.7(6) . . ? Ga12 Ga10 Ga1 69.2(4) . . ? Ga4 Ga10 Ga1 94.4(4) . . ? Ga5 Ga10 Ga1 95.4(4) . . ? Ga13 Ga10 Ga1 72.8(3) 8_655 . ? Ga9 Ga10 Ga14 90.6(16) . . ? Ga13 Ga10 Ga14 123.8(7) . . ? Ga16 Ga10 Ga14 31.1(3) . . ? Ga12 Ga10 Ga14 95.0(6) . . ? Ga4 Ga10 Ga14 68.0(4) . . ? Ga5 Ga10 Ga14 60.3(3) . . ? Ga13 Ga10 Ga14 117.2(4) 8_655 . ? Ga1 Ga10 Ga14 54.4(3) . . ? Ga9 Ga10 Ga3 67.2(11) . . ? Ga13 Ga10 Ga3 62.3(5) . . ? Ga16 Ga10 Ga3 146.8(8) . . ? Ga12 Ga10 Ga3 57.0(3) . . ? Ga4 Ga10 Ga3 135.3(7) . . ? Ga5 Ga10 Ga3 146.3(7) . . ? Ga13 Ga10 Ga3 54.3(3) 8_655 . ? Ga1 Ga10 Ga3 93.7(3) . . ? Ga14 Ga10 Ga3 145.3(6) . . ? Ga14 Ga11 Ga5 81.60(19) . . ? Ga14 Ga11 Ga5 81.60(19) . 7_575 ? Ga5 Ga11 Ga5 156.4(4) . 7_575 ? Ga14 Ga11 Ga17 112.1(3) . 2_565 ? Ga5 Ga11 Ga17 135.8(2) . 2_565 ? Ga5 Ga11 Ga17 66.62(17) 7_575 2_565 ? Ga14 Ga11 Ga17 112.1(3) . . ? Ga5 Ga11 Ga17 66.62(17) . . ? Ga5 Ga11 Ga17 135.8(2) 7_575 . ? Ga17 Ga11 Ga17 69.3(2) 2_565 . ? Ga14 Ga11 Ga4 84.34(18) . 7_575 ? Ga5 Ga11 Ga4 164.8(3) . 7_575 ? Ga5 Ga11 Ga4 11.17(16) 7_575 7_575 ? Ga17 Ga11 Ga4 55.87(15) 2_565 7_575 ? Ga17 Ga11 Ga4 124.7(2) . 7_575 ? Ga14 Ga11 Ga4 84.34(18) . . ? Ga5 Ga11 Ga4 11.17(16) . . ? Ga5 Ga11 Ga4 164.8(3) 7_575 . ? Ga17 Ga11 Ga4 124.7(2) 2_565 . ? Ga17 Ga11 Ga4 55.87(15) . . ? Ga4 Ga11 Ga4 167.6(4) 7_575 . ? Ga14 Ga11 Ga16 28.36(10) . 7_575 ? Ga5 Ga11 Ga16 109.9(2) . 7_575 ? Ga5 Ga11 Ga16 53.98(17) 7_575 7_575 ? Ga17 Ga11 Ga16 92.18(16) 2_565 7_575 ? Ga17 Ga11 Ga16 125.3(2) . 7_575 ? Ga4 Ga11 Ga16 55.98(18) 7_575 7_575 ? Ga4 Ga11 Ga16 112.5(2) . 7_575 ? Ga14 Ga11 Ga16 28.36(10) . . ? Ga5 Ga11 Ga16 53.98(17) . . ? Ga5 Ga11 Ga16 109.9(2) 7_575 . ? Ga17 Ga11 Ga16 125.3(2) 2_565 . ? Ga17 Ga11 Ga16 92.18(16) . . ? Ga4 Ga11 Ga16 112.5(2) 7_575 . ? Ga4 Ga11 Ga16 55.98(18) . . ? Ga16 Ga11 Ga16 56.6(2) 7_575 . ? Ga14 Ga11 Ga1 59.8(3) . . ? Ga5 Ga11 Ga1 92.90(16) . . ? Ga5 Ga11 Ga1 92.90(16) 7_575 . ? Ga17 Ga11 Ga1 63.64(14) 2_565 . ? Ga17 Ga11 Ga1 63.64(14) . . ? Ga4 Ga11 Ga1 84.94(17) 7_575 . ? Ga4 Ga11 Ga1 84.94(17) . . ? Ga16 Ga11 Ga1 62.02(13) 7_575 . ? Ga16 Ga11 Ga1 62.02(13) . . ? Ga19 Ga12 Ga9 141.2(6) . . ? Ga19 Ga12 Ga19 21.8(5) . 7_575 ? Ga9 Ga12 Ga19 128.7(5) . 7_575 ? Ga19 Ga12 Ga10 136.3(6) . . ? Ga9 Ga12 Ga10 7.6(4) . . ? Ga19 Ga12 Ga10 126.9(4) 7_575 . ? Ga19 Ga12 Ga19 34.9(4) . 8_655 ? Ga9 Ga12 Ga19 122.5(4) . 8_655 ? Ga19 Ga12 Ga19 53.0(3) 7_575 8_655 ? Ga10 Ga12 Ga19 115.1(3) . 8_655 ? Ga19 Ga12 Ga2 95.0(5) . . ? Ga9 Ga12 Ga2 83.1(3) . . ? Ga19 Ga12 Ga2 74.6(2) 7_575 . ? Ga10 Ga12 Ga2 89.2(4) . . ? Ga19 Ga12 Ga2 127.1(3) 8_655 . ? Ga19 Ga12 Ga3 109.2(5) . . ? Ga9 Ga12 Ga3 76.6(3) . . ? Ga19 Ga12 Ga3 129.0(2) 7_575 . ? Ga10 Ga12 Ga3 71.9(4) . . ? Ga19 Ga12 Ga3 76.0(3) 8_655 . ? Ga2 Ga12 Ga3 155.7(2) . . ? Ga19 Ga12 Ga12 41.4(5) . 7_575 ? Ga9 Ga12 Ga12 114.1(4) . 7_575 ? Ga19 Ga12 Ga12 19.6(2) 7_575 7_575 ? Ga10 Ga12 Ga12 114.5(4) . 7_575 ? Ga19 Ga12 Ga12 70.7(2) 8_655 7_575 ? Ga2 Ga12 Ga12 56.45(12) . 7_575 ? Ga3 Ga12 Ga12 145.45(11) . 7_575 ? Ga19 Ga12 Ga12 56.5(5) . 8_655 ? Ga9 Ga12 Ga12 106.5(2) . 8_655 ? Ga19 Ga12 Ga12 73.7(2) 7_575 8_655 ? Ga10 Ga12 Ga12 98.9(3) . 8_655 ? Ga19 Ga12 Ga12 21.6(2) 8_655 8_655 ? Ga2 Ga12 Ga12 145.41(12) . 8_655 ? Ga3 Ga12 Ga12 55.68(11) . 8_655 ? Ga12 Ga12 Ga12 90.000(1) 7_575 8_655 ? Ga19 Ga12 Ga16 126.5(6) . . ? Ga9 Ga12 Ga16 29.3(3) . . ? Ga19 Ga12 Ga16 107.0(3) 7_575 . ? Ga10 Ga12 Ga16 34.5(4) . . ? Ga19 Ga12 Ga16 129.9(3) 8_655 . ? Ga2 Ga12 Ga16 55.04(13) . . ? Ga3 Ga12 Ga16 105.95(18) . . ? Ga12 Ga12 Ga16 88.98(13) 7_575 . ? Ga12 Ga12 Ga16 123.56(9) 8_655 . ? Ga19 Ga12 Ga1 74.4(5) . . ? Ga9 Ga12 Ga1 66.8(3) . . ? Ga19 Ga12 Ga1 66.2(3) 7_575 . ? Ga10 Ga12 Ga1 62.5(3) . . ? Ga19 Ga12 Ga1 68.2(2) 8_655 . ? Ga2 Ga12 Ga1 86.35(15) . . ? Ga3 Ga12 Ga1 97.76(13) . . ? Ga12 Ga12 Ga1 61.58(10) 7_575 . ? Ga12 Ga12 Ga1 68.40(10) 8_655 . ? Ga16 Ga12 Ga1 61.93(13) . . ? Ga19 Ga12 Ga19 18.3(4) . 2_565 ? Ga9 Ga12 Ga19 126.2(4) . 2_565 ? Ga19 Ga12 Ga19 31.9(3) 7_575 2_565 ? Ga10 Ga12 Ga19 120.1(3) . 2_565 ? Ga19 Ga12 Ga19 21.6(3) 8_655 2_565 ? Ga2 Ga12 Ga19 105.5(2) . 2_565 ? Ga3 Ga12 Ga19 97.34(18) . 2_565 ? Ga12 Ga12 Ga19 49.07(15) 7_575 2_565 ? Ga12 Ga12 Ga19 41.88(15) 8_655 2_565 ? Ga16 Ga12 Ga19 120.5(2) . 2_565 ? Ga1 Ga12 Ga19 61.1(2) . 2_565 ? Ga10 Ga13 Ga13 141.6(7) . 8_655 ? Ga10 Ga13 Ga9 19.7(6) . . ? Ga13 Ga13 Ga9 125.8(3) 8_655 . ? Ga10 Ga13 Ga4 74.9(6) . . ? Ga13 Ga13 Ga4 124.07(19) 8_655 . ? Ga9 Ga13 Ga4 94.3(3) . . ? Ga10 Ga13 Ga3 91.1(6) . . ? Ga13 Ga13 Ga3 72.01(11) 8_655 . ? Ga9 Ga13 Ga3 72.5(3) . . ? Ga4 Ga13 Ga3 163.8(3) . . ? Ga10 Ga13 Ga10 124.4(10) . 8_655 ? Ga13 Ga13 Ga10 17.2(4) 8_655 8_655 ? Ga9 Ga13 Ga10 109.2(5) . 8_655 ? Ga4 Ga13 Ga10 128.3(4) . 8_655 ? Ga3 Ga13 Ga10 66.4(3) . 8_655 ? Ga10 Ga13 Ga5 67.3(6) . . ? Ga13 Ga13 Ga5 130.53(16) 8_655 . ? Ga9 Ga13 Ga5 86.8(3) . . ? Ga4 Ga13 Ga5 7.6(2) . . ? Ga3 Ga13 Ga5 156.7(3) . . ? Ga10 Ga13 Ga5 132.8(4) 8_655 . ? Ga10 Ga13 Ga16 17.1(5) . . ? Ga13 Ga13 Ga16 142.66(14) 8_655 . ? Ga9 Ga13 Ga16 35.3(3) . . ? Ga4 Ga13 Ga16 59.19(18) . . ? Ga3 Ga13 Ga16 107.7(2) . . ? Ga10 Ga13 Ga16 126.9(4) 8_655 . ? Ga5 Ga13 Ga16 51.79(17) . . ? Ga10 Ga13 Ga17 101.1(6) . . ? Ga13 Ga13 Ga17 74.46(8) 8_655 . ? Ga9 Ga13 Ga17 111.0(4) . . ? Ga4 Ga13 Ga17 53.81(19) . . ? Ga3 Ga13 Ga17 139.2(2) . . ? Ga10 Ga13 Ga17 74.7(3) 8_655 . ? Ga5 Ga13 Ga17 58.19(16) . . ? Ga16 Ga13 Ga17 85.70(18) . . ? Ga10 Ga13 Ga9 112.7(7) . 8_655 ? Ga13 Ga13 Ga9 29.6(2) 8_655 8_655 ? Ga9 Ga13 Ga9 96.2(4) . 8_655 ? Ga4 Ga13 Ga9 137.1(3) . 8_655 ? Ga3 Ga13 Ga9 55.79(18) . 8_655 ? Ga10 Ga13 Ga9 14.0(3) 8_655 8_655 ? Ga5 Ga13 Ga9 139.7(3) . 8_655 ? Ga16 Ga13 Ga9 118.5(3) . 8_655 ? Ga17 Ga13 Ga9 83.7(2) . 8_655 ? Ga10 Ga13 Ga1 64.7(7) . . ? Ga13 Ga13 Ga1 81.82(10) 8_655 . ? Ga9 Ga13 Ga1 61.4(3) . . ? Ga4 Ga13 Ga1 87.5(2) . . ? Ga3 Ga13 Ga1 93.99(19) . . ? Ga10 Ga13 Ga1 66.9(4) 8_655 . ? Ga5 Ga13 Ga1 85.0(2) . . ? Ga16 Ga13 Ga1 60.85(16) . . ? Ga17 Ga13 Ga1 58.45(17) . . ? Ga9 Ga13 Ga1 62.2(2) 8_655 . ? Ga10 Ga13 Ga12 44.3(6) . . ? Ga13 Ga13 Ga12 102.00(11) 8_655 . ? Ga9 Ga13 Ga12 24.9(3) . . ? Ga4 Ga13 Ga12 117.0(2) . . ? Ga3 Ga13 Ga12 52.34(14) . . ? Ga10 Ga13 Ga12 86.3(4) 8_655 . ? Ga5 Ga13 Ga12 109.8(2) . . ? Ga16 Ga13 Ga12 58.18(14) . . ? Ga17 Ga13 Ga12 115.0(2) . . ? Ga9 Ga13 Ga12 72.6(2) 8_655 . ? Ga1 Ga13 Ga12 56.84(16) . . ? Ga11 Ga14 Ga16 125.5(3) . 7_575 ? Ga11 Ga14 Ga16 125.5(3) . . ? Ga16 Ga14 Ga16 108.7(5) 7_575 . ? Ga11 Ga14 Ga1 88.9(3) . . ? Ga16 Ga14 Ga1 87.6(2) 7_575 . ? Ga16 Ga14 Ga1 87.6(2) . . ? Ga11 Ga14 Ga5 64.3(2) . . ? Ga16 Ga14 Ga5 169.4(4) 7_575 . ? Ga16 Ga14 Ga5 62.24(19) . . ? Ga1 Ga14 Ga5 97.05(17) . . ? Ga11 Ga14 Ga5 64.3(2) . 7_575 ? Ga16 Ga14 Ga5 62.24(19) 7_575 7_575 ? Ga16 Ga14 Ga5 169.4(4) . 7_575 ? Ga1 Ga14 Ga5 97.05(17) . 7_575 ? Ga5 Ga14 Ga5 126.2(4) . 7_575 ? Ga11 Ga14 Ga10 105.3(3) . 7_575 ? Ga16 Ga14 Ga10 30.5(2) 7_575 7_575 ? Ga16 Ga14 Ga10 120.3(5) . 7_575 ? Ga1 Ga14 Ga10 62.1(2) . 7_575 ? Ga5 Ga14 Ga10 157.8(3) . 7_575 ? Ga5 Ga14 Ga10 55.0(3) 7_575 7_575 ? Ga11 Ga14 Ga10 105.3(3) . . ? Ga16 Ga14 Ga10 120.3(5) 7_575 . ? Ga16 Ga14 Ga10 30.5(2) . . ? Ga1 Ga14 Ga10 62.1(2) . . ? Ga5 Ga14 Ga10 55.0(3) . . ? Ga5 Ga14 Ga10 157.8(3) 7_575 . ? Ga10 Ga14 Ga10 114.5(6) 7_575 . ? Ga11 Ga14 Ga4 64.16(19) . 7_575 ? Ga16 Ga14 Ga4 61.3(2) 7_575 7_575 ? Ga16 Ga14 Ga4 168.9(4) . 7_575 ? Ga1 Ga14 Ga4 87.22(16) . 7_575 ? Ga5 Ga14 Ga4 128.2(3) . 7_575 ? Ga5 Ga14 Ga4 9.83(15) 7_575 7_575 ? Ga10 Ga14 Ga4 48.7(3) 7_575 7_575 ? Ga10 Ga14 Ga4 148.4(3) . 7_575 ? Ga11 Ga14 Ga4 64.16(19) . . ? Ga16 Ga14 Ga4 168.9(4) 7_575 . ? Ga16 Ga14 Ga4 61.3(2) . . ? Ga1 Ga14 Ga4 87.22(16) . . ? Ga5 Ga14 Ga4 9.83(15) . . ? Ga5 Ga14 Ga4 128.2(3) 7_575 . ? Ga10 Ga14 Ga4 148.4(3) 7_575 . ? Ga10 Ga14 Ga4 48.7(3) . . ? Ga4 Ga14 Ga4 128.1(4) 7_575 . ? Ga11 Ga14 Ga9 119.3(3) . 7_575 ? Ga16 Ga14 Ga9 28.4(2) 7_575 7_575 ? Ga16 Ga14 Ga9 104.8(4) . 7_575 ? Ga1 Ga14 Ga9 59.15(19) . 7_575 ? Ga5 Ga14 Ga9 154.6(3) . 7_575 ? Ga5 Ga14 Ga9 70.0(2) 7_575 7_575 ? Ga10 Ga14 Ga9 15.6(3) 7_575 7_575 ? Ga10 Ga14 Ga9 102.2(4) . 7_575 ? Ga4 Ga14 Ga9 64.2(2) 7_575 7_575 ? Ga4 Ga14 Ga9 145.1(3) . 7_575 ? Ga11 Ga14 Ga9 119.3(3) . . ? Ga16 Ga14 Ga9 104.8(4) 7_575 . ? Ga16 Ga14 Ga9 28.4(2) . . ? Ga1 Ga14 Ga9 59.15(19) . . ? Ga5 Ga14 Ga9 70.0(2) . . ? Ga5 Ga14 Ga9 154.6(3) 7_575 . ? Ga10 Ga14 Ga9 102.2(4) 7_575 . ? Ga10 Ga14 Ga9 15.6(3) . . ? Ga4 Ga14 Ga9 145.1(3) 7_575 . ? Ga4 Ga14 Ga9 64.2(2) . . ? Ga9 Ga14 Ga9 88.6(4) 7_575 . ? Ga10 Ga16 Ga14 118.4(5) . . ? Ga10 Ga16 Ga9 27.7(5) . . ? Ga14 Ga16 Ga9 123.6(4) . . ? Ga10 Ga16 Ga5 75.1(5) . . ? Ga14 Ga16 Ga5 80.7(3) . . ? Ga9 Ga16 Ga5 102.8(4) . . ? Ga10 Ga16 Ga2 109.7(5) . . ? Ga14 Ga16 Ga2 93.2(3) . . ? Ga9 Ga16 Ga2 82.1(3) . . ? Ga5 Ga16 Ga2 173.7(3) . . ? Ga10 Ga16 Ga4 64.0(5) . . ? Ga14 Ga16 Ga4 84.4(3) . . ? Ga9 Ga16 Ga4 91.6(4) . . ? Ga5 Ga16 Ga4 11.61(18) . . ? Ga2 Ga16 Ga4 170.49(18) . . ? Ga10 Ga16 Ga16 129.1(5) . 7_575 ? Ga14 Ga16 Ga16 35.7(3) . 7_575 ? Ga9 Ga16 Ga16 114.9(4) . 7_575 ? Ga5 Ga16 Ga16 116.17(19) . 7_575 ? Ga2 Ga16 Ga16 57.67(10) . 7_575 ? Ga4 Ga16 Ga16 119.87(18) . 7_575 ? Ga10 Ga16 Ga13 13.4(4) . . ? Ga14 Ga16 Ga13 108.7(3) . . ? Ga9 Ga16 Ga13 40.1(3) . . ? Ga5 Ga16 Ga13 63.10(19) . . ? Ga2 Ga16 Ga13 121.20(16) . . ? Ga4 Ga16 Ga13 51.65(19) . . ? Ga16 Ga16 Ga13 127.20(14) 7_575 . ? Ga10 Ga16 Ga11 101.8(4) . . ? Ga14 Ga16 Ga11 26.1(2) . . ? Ga9 Ga16 Ga11 118.5(3) . . ? Ga5 Ga16 Ga11 55.25(18) . . ? Ga2 Ga16 Ga11 118.90(18) . . ? Ga4 Ga16 Ga11 58.23(17) . . ? Ga16 Ga16 Ga11 61.71(10) 7_575 . ? Ga13 Ga16 Ga11 89.59(17) . . ? Ga10 Ga16 Ga12 54.7(5) . . ? Ga14 Ga16 Ga12 112.1(3) . . ? Ga9 Ga16 Ga12 27.8(3) . . ? Ga5 Ga16 Ga12 128.7(2) . . ? Ga2 Ga16 Ga12 55.42(12) . . ? Ga4 Ga16 Ga12 117.08(19) . . ? Ga16 Ga16 Ga12 91.02(13) 7_575 . ? Ga13 Ga16 Ga12 65.79(14) . . ? Ga11 Ga16 Ga12 121.02(17) . . ? Ga10 Ga16 Ga1 66.8(5) . . ? Ga14 Ga16 Ga1 58.8(2) . . ? Ga9 Ga16 Ga1 64.7(3) . . ? Ga5 Ga16 Ga1 93.01(17) . . ? Ga2 Ga16 Ga1 85.37(14) . . ? Ga4 Ga16 Ga1 85.52(16) . . ? Ga16 Ga16 Ga1 63.26(9) 7_575 . ? Ga13 Ga16 Ga1 64.08(14) . . ? Ga11 Ga16 Ga1 61.02(14) . . ? Ga12 Ga16 Ga1 60.00(13) . . ? Ga4 Ga17 Ga4 118.8(4) 8_655 . ? Ga4 Ga17 Ga11 63.64(16) 8_655 2_565 ? Ga4 Ga17 Ga11 165.6(2) . 2_565 ? Ga4 Ga17 Ga11 165.6(2) 8_655 . ? Ga4 Ga17 Ga11 63.64(16) . . ? Ga11 Ga17 Ga11 110.3(2) 2_565 . ? Ga4 Ga17 Ga5 127.9(3) 8_655 . ? Ga4 Ga17 Ga5 9.2(2) . . ? Ga11 Ga17 Ga5 162.5(2) 2_565 . ? Ga11 Ga17 Ga5 54.97(17) . . ? Ga4 Ga17 Ga5 9.2(2) 8_655 8_655 ? Ga4 Ga17 Ga5 127.9(3) . 8_655 ? Ga11 Ga17 Ga5 54.97(17) 2_565 8_655 ? Ga11 Ga17 Ga5 162.5(2) . 8_655 ? Ga5 Ga17 Ga5 137.1(4) . 8_655 ? Ga4 Ga17 Ga17 118.56(18) 8_655 2_565 ? Ga4 Ga17 Ga17 118.56(18) . 2_565 ? Ga11 Ga17 Ga17 55.33(12) 2_565 2_565 ? Ga11 Ga17 Ga17 55.33(12) . 2_565 ? Ga5 Ga17 Ga17 110.20(19) . 2_565 ? Ga5 Ga17 Ga17 110.20(19) 8_655 2_565 ? Ga4 Ga17 Ga13 51.1(2) 8_655 8_655 ? Ga4 Ga17 Ga13 80.4(2) . 8_655 ? Ga11 Ga17 Ga13 92.48(15) 2_565 8_655 ? Ga11 Ga17 Ga13 118.87(17) . 8_655 ? Ga5 Ga17 Ga13 88.10(19) . 8_655 ? Ga5 Ga17 Ga13 57.87(15) 8_655 8_655 ? Ga17 Ga17 Ga13 122.69(14) 2_565 8_655 ? Ga4 Ga17 Ga13 80.4(2) 8_655 . ? Ga4 Ga17 Ga13 51.1(2) . . ? Ga11 Ga17 Ga13 118.87(17) 2_565 . ? Ga11 Ga17 Ga13 92.48(15) . . ? Ga5 Ga17 Ga13 57.87(15) . . ? Ga5 Ga17 Ga13 88.10(19) 8_655 . ? Ga17 Ga17 Ga13 122.69(14) 2_565 . ? Ga13 Ga17 Ga13 31.07(16) 8_655 . ? Ga4 Ga17 Ga1 89.20(18) 8_655 2_565 ? Ga4 Ga17 Ga1 100.88(19) . 2_565 ? Ga11 Ga17 Ga1 64.70(15) 2_565 2_565 ? Ga11 Ga17 Ga1 76.46(16) . 2_565 ? Ga5 Ga17 Ga1 100.26(17) . 2_565 ? Ga5 Ga17 Ga1 87.64(16) 8_655 2_565 ? Ga17 Ga17 Ga1 60.14(11) 2_565 2_565 ? Ga13 Ga17 Ga1 63.37(14) 8_655 2_565 ? Ga13 Ga17 Ga1 67.35(14) . 2_565 ? Ga4 Ga17 Ga1 100.88(19) 8_655 . ? Ga4 Ga17 Ga1 89.20(18) . . ? Ga11 Ga17 Ga1 76.46(16) 2_565 . ? Ga11 Ga17 Ga1 64.70(15) . . ? Ga5 Ga17 Ga1 87.64(16) . . ? Ga5 Ga17 Ga1 100.26(17) 8_655 . ? Ga17 Ga17 Ga1 60.14(11) 2_565 . ? Ga13 Ga17 Ga1 67.35(14) 8_655 . ? Ga13 Ga17 Ga1 63.37(14) . . ? Ga1 Ga17 Ga1 13.53(15) 2_565 . ? Ga12 Ga19 Ga19 138.6(5) . 7_575 ? Ga12 Ga19 Ga19 123.5(5) . 8_655 ? Ga19 Ga19 Ga19 90.000(5) 7_575 8_655 ? Ga12 Ga19 Ga19 152.2(7) . 2_565 ? Ga19 Ga19 Ga19 54.6(5) 7_575 2_565 ? Ga19 Ga19 Ga19 35.4(5) 8_655 2_565 ? Ga12 Ga19 Ga12 119.0(6) . 7_575 ? Ga19 Ga19 Ga12 19.6(2) 7_575 7_575 ? Ga19 Ga19 Ga12 106.3(2) 8_655 7_575 ? Ga19 Ga19 Ga12 71.5(5) 2_565 7_575 ? Ga12 Ga19 Ga12 101.9(6) . 8_655 ? Ga19 Ga19 Ga12 109.3(2) 7_575 8_655 ? Ga19 Ga19 Ga12 21.6(2) 8_655 8_655 ? Ga19 Ga19 Ga12 55.5(3) 2_565 8_655 ? Ga12 Ga19 Ga12 122.8(3) 7_575 8_655 ? Ga12 Ga19 Ga9 23.4(4) . . ? Ga19 Ga19 Ga9 125.3(3) 7_575 . ? Ga19 Ga19 Ga9 114.4(2) 8_655 . ? Ga19 Ga19 Ga9 132.2(3) 2_565 . ? Ga12 Ga19 Ga9 107.4(4) 7_575 . ? Ga12 Ga19 Ga9 94.6(3) 8_655 . ? Ga12 Ga19 Ga2 62.9(4) . . ? Ga19 Ga19 Ga2 77.90(18) 7_575 . ? Ga19 Ga19 Ga2 160.79(17) 8_655 . ? Ga19 Ga19 Ga2 130.4(6) 2_565 . ? Ga12 Ga19 Ga2 59.4(2) 7_575 . ? Ga12 Ga19 Ga2 155.1(4) 8_655 . ? Ga9 Ga19 Ga2 63.4(2) . . ? Ga12 Ga19 Ga1 84.3(5) . . ? Ga19 Ga19 Ga1 77.95(18) 7_575 . ? Ga19 Ga19 Ga1 80.09(15) 8_655 . ? Ga19 Ga19 Ga1 74.86(17) 2_565 . ? Ga12 Ga19 Ga1 71.0(3) 7_575 . ? Ga12 Ga19 Ga1 75.8(2) 8_655 . ? Ga9 Ga19 Ga1 60.9(2) . . ? Ga2 Ga19 Ga1 82.8(2) . . ? Ga12 Ga19 Ga1 91.9(5) . 2_565 ? Ga19 Ga19 Ga1 78.74(17) 7_575 2_565 ? Ga19 Ga19 Ga1 67.12(15) 8_655 2_565 ? Ga19 Ga19 Ga1 64.53(15) 2_565 2_565 ? Ga12 Ga19 Ga1 76.0(3) 7_575 2_565 ? Ga12 Ga19 Ga1 63.8(2) 8_655 2_565 ? Ga9 Ga19 Ga1 68.9(3) . 2_565 ? Ga2 Ga19 Ga1 95.6(2) . 2_565 ? Ga1 Ga19 Ga1 12.97(14) . 2_565 ? Ga12 Ga19 Ga12 148.9(6) . 2_565 ? Ga19 Ga19 Ga12 49.07(15) 7_575 2_565 ? Ga19 Ga19 Ga12 41.88(15) 8_655 2_565 ? Ga19 Ga19 Ga12 9.5(3) 2_565 2_565 ? Ga12 Ga19 Ga12 64.4(2) 7_575 2_565 ? Ga12 Ga19 Ga12 60.2(2) 8_655 2_565 ? Ga9 Ga19 Ga12 126.6(3) . 2_565 ? Ga2 Ga19 Ga12 122.2(3) . 2_565 ? Ga1 Ga19 Ga12 67.14(19) . 2_565 ? Ga1 Ga19 Ga12 57.80(17) 2_565 2_565 ? Ga12 Ga19 Ga3 51.4(5) . . ? Ga19 Ga19 Ga3 160.94(13) 7_575 . ? Ga19 Ga19 Ga3 74.14(12) 8_655 . ? Ga19 Ga19 Ga3 108.9(5) 2_565 . ? Ga12 Ga19 Ga3 159.1(4) 7_575 . ? Ga12 Ga19 Ga3 53.5(2) 8_655 . ? Ga9 Ga19 Ga3 56.0(2) . . ? Ga2 Ga19 Ga3 114.3(3) . . ? Ga1 Ga19 Ga3 88.7(2) . . ? Ga1 Ga19 Ga3 85.3(2) 2_565 . ? Ga12 Ga19 Ga3 113.1(2) 2_565 . ? Si22 Ge2 Si22 108.0(4) . 7_575 ? Si22 Ge2 Si21 111.9(3) . . ? Si22 Ge2 Si21 111.9(3) 7_575 . ? Si22 Ge2 Ga2 108.0(2) . . ? Si22 Ge2 Ga2 108.0(2) 7_575 . ? Si21 Ge2 Ga2 109.0(3) . . ? Si31 Ge3 Si31 73.9(5) . 8_655 ? Si31 Ge3 Si33 39.9(3) . 8_655 ? Si31 Ge3 Si33 108.8(4) 8_655 8_655 ? Si31 Ge3 Si33 108.8(4) . . ? Si31 Ge3 Si33 39.9(3) 8_655 . ? Si33 Ge3 Si33 130.1(5) 8_655 . ? Si31 Ge3 Si32 142.0(4) . 8_655 ? Si31 Ge3 Si32 110.6(4) 8_655 8_655 ? Si33 Ge3 Si32 109.7(4) 8_655 8_655 ? Si33 Ge3 Si32 71.2(4) . 8_655 ? Si31 Ge3 Si32 110.6(4) . . ? Si31 Ge3 Si32 142.0(4) 8_655 . ? Si33 Ge3 Si32 71.2(4) 8_655 . ? Si33 Ge3 Si32 109.7(4) . . ? Si32 Ge3 Si32 42.7(5) 8_655 . ? Si31 Ge3 Ga3 107.7(3) . . ? Si31 Ge3 Ga3 107.7(3) 8_655 . ? Si33 Ge3 Ga3 113.5(3) 8_655 . ? Si33 Ge3 Ga3 113.5(3) . . ? Si32 Ge3 Ga3 106.5(3) 8_655 . ? Si32 Ge3 Ga3 106.5(3) . . ? Si41 Ge4 Ga4 117.8(4) . . ? Si41 Ge4 Si42 107.6(5) . . ? Ga4 Ge4 Si42 107.9(4) . . ? Si41 Ge4 Si43 112.3(6) . . ? Ga4 Ge4 Si43 106.0(5) . . ? Si42 Ge4 Si43 104.5(5) . . ? Si53 Ge5 Si52 118.1(7) . . ? Si53 Ge5 Ga5 106.3(5) . . ? Si52 Ge5 Ga5 102.1(4) . . ? Si53 Ge5 Si51 112.0(7) . . ? Si52 Ge5 Si51 109.1(6) . . ? Ga5 Ge5 Si51 108.4(5) . . ? C21B Si21 C21A 117.9(16) . 7_575 ? C21B Si21 C21A 117.9(16) . . ? C21A Si21 C21A 72(3) 7_575 . ? C21B Si21 Ge2 117.6(15) . . ? C21A Si21 Ge2 111.5(14) 7_575 . ? C21A Si21 Ge2 111.5(14) . . ? C22B Si22 C22C 110.4(15) . . ? C22B Si22 C22A 101.0(14) . . ? C22C Si22 C22A 109(2) . . ? C22B Si22 Ge2 113.2(11) . . ? C22C Si22 Ge2 111.8(9) . . ? C22A Si22 Ge2 111.1(17) . . ? Si33 Si31 C31A 76.8(13) 8_655 . ? Si33 Si31 C31C 69.9(15) 8_655 . ? C31A Si31 C31C 109.1(17) . . ? Si33 Si31 C31B 177.4(15) 8_655 . ? C31A Si31 C31B 105.3(16) . . ? C31C Si31 C31B 108(2) . . ? Si33 Si31 C33B 62.6(10) 8_655 8_655 ? C31A Si31 C33B 15.5(14) . 8_655 ? C31C Si31 C33B 96.9(19) . 8_655 ? C31B Si31 C33B 119.3(14) . 8_655 ? Si33 Si31 C33A 54.3(9) 8_655 8_655 ? C31A Si31 C33A 106.9(14) . 8_655 ? C31C Si31 C33A 16.4(17) . 8_655 ? C31B Si31 C33A 123.4(17) . 8_655 ? C33B Si31 C33A 92.4(14) 8_655 8_655 ? Si33 Si31 Ge3 70.1(5) 8_655 . ? C31A Si31 Ge3 111.8(13) . . ? C31C Si31 Ge3 112.3(15) . . ? C31B Si31 Ge3 110.1(10) . . ? C33B Si31 Ge3 109.7(17) 8_655 . ? C33A Si31 Ge3 99.4(10) 8_655 . ? Si32 Si32 C32B 82.7(10) 8_655 . ? Si32 Si32 C32A 62.5(4) 8_655 . ? C32B Si32 C32A 101.3(18) . . ? Si32 Si32 C32C 170.5(14) 8_655 . ? C32B Si32 C32C 106.7(17) . . ? C32A Si32 C32C 113.1(16) . . ? Si32 Si32 C32B 50.9(6) 8_655 8_655 ? C32B Si32 C32B 31.8(15) . 8_655 ? C32A Si32 C32B 84.7(14) . 8_655 ? C32C Si32 C32B 138.5(15) . 8_655 ? Si32 Si32 Ge3 68.7(2) 8_655 . ? C32B Si32 Ge3 115.1(15) . . ? C32A Si32 Ge3 112.9(10) . . ? C32C Si32 Ge3 107.5(14) . . ? C32B Si32 Ge3 98.0(11) 8_655 . ? Si32 Si32 C33C 159.0(6) 8_655 8_655 ? C32B Si32 C33C 95.9(14) . 8_655 ? C32A Si32 C33C 137.7(9) . 8_655 ? C32C Si32 C33C 24.6(16) . 8_655 ? C32B Si32 C33C 125.2(12) 8_655 8_655 ? Ge3 Si32 C33C 93.5(7) . 8_655 ? Si32 Si32 Si33 117.8(3) 8_655 8_655 ? C32B Si32 Si33 99.1(15) . 8_655 ? C32A Si32 Si33 159.3(12) . 8_655 ? C32C Si32 Si33 63.0(15) . 8_655 ? C32B Si32 Si33 111.8(12) 8_655 8_655 ? Ge3 Si32 Si33 54.4(3) . 8_655 ? C33C Si32 Si33 41.6(5) 8_655 8_655 ? Si31 Si33 C33A 80.3(15) 8_655 . ? Si31 Si33 C33B 66.4(14) 8_655 . ? C33A Si33 C33B 109(2) . . ? Si31 Si33 C33C 169.8(14) 8_655 . ? C33A Si33 C33C 108.7(18) . . ? C33B Si33 C33C 105.5(17) . . ? Si31 Si33 C31C 60.6(11) 8_655 8_655 ? C33A Si33 C31C 20.5(17) . 8_655 ? C33B Si33 C31C 94(2) . 8_655 ? C33C Si33 C31C 127.7(16) . 8_655 ? Si31 Si33 C31A 56.5(8) 8_655 8_655 ? C33A Si33 C31A 110.3(18) . 8_655 ? C33B Si33 C31A 11.5(13) . 8_655 ? C33C Si33 C31A 114.6(13) . 8_655 ? C31C Si33 C31A 93.0(16) 8_655 8_655 ? Si31 Si33 Ge3 69.9(5) 8_655 . ? C33A Si33 Ge3 112.4(11) . . ? C33B Si33 Ge3 111.8(13) . . ? C33C Si33 Ge3 109.4(11) . . ? C31C Si33 Ge3 107.0(12) 8_655 . ? C31A Si33 Ge3 101.2(9) 8_655 . ? Si31 Si33 Si32 123.6(6) 8_655 8_655 ? C33A Si33 Si32 110.7(14) . 8_655 ? C33B Si33 Si32 140.4(19) . 8_655 ? C33C Si33 Si32 58.4(9) . 8_655 ? C31C Si33 Si32 124.9(14) 8_655 8_655 ? C31A Si33 Si32 138.0(12) 8_655 8_655 ? Ge3 Si33 Si32 54.4(3) . 8_655 ? C41A Si41 C41B 133(2) . . ? C41A Si41 C41C 116(3) . . ? C41B Si41 C41C 91(4) . . ? C41A Si41 Ge4 96(2) . . ? C41B Si41 Ge4 100(4) . . ? C41C Si41 Ge4 121.9(15) . . ? C42A Si42 C42C 103(2) . . ? C42A Si42 C42B 104(2) . . ? C42C Si42 C42B 115(2) . . ? C42A Si42 Ge4 107.9(12) . . ? C42C Si42 Ge4 117.0(17) . . ? C42B Si42 Ge4 108.9(13) . . ? C43A Si43 C43B 123(2) . . ? C43A Si43 C43C 147(5) . . ? C43B Si43 C43C 29(10) . . ? C43A Si43 Ge4 109(2) . . ? C43B Si43 Ge4 110.5(16) . . ? C43C Si43 Ge4 84(10) . . ? C51B Si51 C51A 116(3) . . ? C51B Si51 C51C 107(3) . . ? C51A Si51 C51C 104(3) . . ? C51B Si51 Ge5 119(2) . . ? C51A Si51 Ge5 106.9(15) . . ? C51C Si51 Ge5 102(3) . . ? C52A Si52 C52B 122(4) . . ? C52A Si52 C52C 94(4) . . ? C52B Si52 C52C 109(2) . . ? C52A Si52 Ge5 115(3) . . ? C52B Si52 Ge5 108(2) . . ? C52C Si52 Ge5 105.4(18) . . ? C53C Si53 C53B 123(3) . . ? C53C Si53 C53A 93(3) . . ? C53B Si53 C53A 102(4) . . ? C53C Si53 Ge5 112.4(15) . . ? C53B Si53 Ge5 116(3) . . ? C53A Si53 Ge5 103(3) . . ? C33B C31A Si31 88(5) 8_655 . ? C33B C31A Si33 46(4) 8_655 8_655 ? Si31 C31A Si33 46.7(7) . 8_655 ? C31B C31B Si31 117.6(8) 8_655 . ? C33A C31C Si31 115(4) 8_655 . ? C33A C31C Si33 67(3) 8_655 8_655 ? Si31 C31C Si33 49.5(8) . 8_655 ? C32B C32B Si32 97.3(10) 8_655 . ? C32B C32B Si32 50.9(6) 8_655 8_655 ? Si32 C32B Si32 46.4(7) . 8_655 ? C33C C32C Si32 106(3) 8_655 . ? C31C C33A Si33 92(3) 8_655 . ? C31C C33A Si31 49(3) 8_655 8_655 ? Si33 C33A Si31 45.4(8) . 8_655 ? C31A C33B Si33 122(5) 8_655 . ? C31A C33B Si31 76(5) 8_655 8_655 ? Si33 C33B Si31 51.0(8) . 8_655 ? C32C C33C Si33 120(3) 8_655 . ? C32C C33C Si32 49.2(18) 8_655 8_655 ? Si33 C33C Si32 80.0(9) . 8_655 ? _diffrn_measured_fraction_theta_max 0.860 _diffrn_reflns_theta_full 21.00 _diffrn_measured_fraction_theta_full 0.860 _refine_diff_density_max 1.223 _refine_diff_density_min -0.700 _refine_diff_density_rms 0.109 #eof