Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2006 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'Bernd Harbrecht' _publ_contact_author_address ; Philipps University Marburg Department of Chemistry and Center of Materials Sciences Hans-Meerwein Strasse D-35039 Marburg Germany ; _publ_contact_author_email harbrecht@chemie.uni-marburg.de loop_ _publ_author_name _publ_author_address C.Allio ;Philipps University Marburg Department of Chemistry and Center of Materials Sciences Hans-Meerwein Strasse D-35039 Marburg Germany ; B.Harbrecht ;Philipps University Marburg Department of Chemistry and Center of Materials Sciences Hans-Meerwein Strasse D-35039 Marburg Germany ; _publ_section_title ; Synthesis, crystal structure and some physical properties of RuZn3 ; data_RuZn3 _database_code_depnum_ccdc_archive 'CCDC 619140' _audit_creation_method SHELXL-97 _chemical_name_systematic ; Ru4 Zn12 ; _chemical_name_common 'Ru4 Zn12' _chemical_melting_point 1373(2) _chemical_formula_moiety 'Ru Zn3' _chemical_formula_sum 'Ru Zn3' _chemical_formula_weight 297.18 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting tetragonal _symmetry_space_group_name_H-M 'I 4/m m m' _symmetry_Int_Tables_number 139 _symmetry_space_group_name_Hall '-I 4 2' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-y, x, z' 'y, -x, z' '-x, y, -z' 'x, -y, -z' 'y, x, -z' '-y, -x, -z' 'x+1/2, y+1/2, z+1/2' '-x+1/2, -y+1/2, z+1/2' '-y+1/2, x+1/2, z+1/2' 'y+1/2, -x+1/2, z+1/2' '-x+1/2, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z+1/2' 'y+1/2, x+1/2, -z+1/2' '-y+1/2, -x+1/2, -z+1/2' '-x, -y, -z' 'x, y, -z' 'y, -x, -z' '-y, x, -z' 'x, -y, z' '-x, y, z' '-y, -x, z' 'y, x, z' '-x+1/2, -y+1/2, -z+1/2' 'x+1/2, y+1/2, -z+1/2' 'y+1/2, -x+1/2, -z+1/2' '-y+1/2, x+1/2, -z+1/2' 'x+1/2, -y+1/2, z+1/2' '-x+1/2, y+1/2, z+1/2' '-y+1/2, -x+1/2, z+1/2' 'y+1/2, x+1/2, z+1/2' _cell_length_a 3.7682(3) _cell_length_b 3.7682(3) _cell_length_c 15.5478(13) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 220.77(3) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 153 _cell_measurement_theta_min 10.31 _cell_measurement_theta_max 65.62 _exptl_crystal_description rod-shaped _exptl_crystal_colour grey _exptl_crystal_size_max 0.06 _exptl_crystal_size_mid 0.04 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 8.941 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 536 _exptl_absorpt_coefficient_mu 38.448 _exptl_absorpt_correction_type numerical _exptl_absorpt_correction_T_min 0.2094 _exptl_absorpt_correction_T_max 0.3940 _exptl_absorpt_process_details ? _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 'IPDS II (Stoe & Cie)' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 2401 _diffrn_reflns_av_R_equivalents 0.0351 _diffrn_reflns_av_sigmaI/netI 0.0119 _diffrn_reflns_limit_h_min -5 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 5.25 _diffrn_reflns_theta_max 32.82 _reflns_number_total 153 _reflns_number_gt 141 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'IPDS (Stoe & Cie)' _computing_cell_refinement 'IPDS software' _computing_data_reduction 'IPDS software' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of 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^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 153 _refine_ls_number_parameters 12 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0197 _refine_ls_R_factor_gt 0.0180 _refine_ls_wR_factor_ref 0.0568 _refine_ls_wR_factor_gt 0.0564 _refine_ls_goodness_of_fit_ref 1.074 _refine_ls_restrained_S_all 1.074 _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 Ru Ru 0.0000 0.0000 0.11755(3) 0.0042(2) Uani 1 4 d S . . Zn1 Zn 0.0000 0.5000 0.0000 0.0044(2) Uani 1 4 d S . . Zn2 Zn 0.0000 0.5000 0.2500 0.0052(2) Uani 1 4 d S . . Zn3 Zn 0.5000 0.5000 0.12872(4) 0.0051(2) Uani 1 4 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 Ru 0.0048(2) 0.0048(2) 0.0035(2) 0.000 0.000 0.000 Zn1 0.0053(4) 0.0034(4) 0.0046(4) 0.000 0.000 0.000 Zn2 0.0054(3) 0.0054(3) 0.0050(4) 0.000 0.000 0.000 Zn3 0.0049(3) 0.0049(3) 0.0056(4) 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 Ru Zn1 2.6249(4) 3 ? Ru Zn1 2.6249(4) 1_545 ? Ru Zn1 2.6249(4) 3_655 ? Ru Zn1 2.6249(4) . ? Ru Zn3 2.6702(2) . ? Ru Zn3 2.6702(2) 1_445 ? Ru Zn3 2.6702(2) 1_455 ? Ru Zn3 2.6702(2) 1_545 ? Ru Zn2 2.7911(4) . ? Ru Zn2 2.7911(4) 25 ? Ru Zn2 2.7911(4) 1_545 ? Ru Zn2 2.7911(4) 25_455 ? Zn1 Ru 2.6249(4) 17 ? Zn1 Ru 2.6249(4) 1_565 ? Zn1 Ru 2.6249(4) 17_565 ? Zn1 Zn1 2.6645(2) 3_665 ? Zn1 Zn1 2.6645(2) 3 ? Zn1 Zn1 2.6645(2) 3_565 ? Zn1 Zn1 2.6645(2) 3_655 ? Zn1 Zn3 2.7486(5) . ? Zn1 Zn3 2.7486(5) 17_565 ? Zn1 Zn3 2.7486(5) 17_665 ? Zn1 Zn3 2.7486(5) 1_455 ? Zn2 Zn2 2.6645(2) 25_565 ? Zn2 Zn2 2.6645(2) 25_455 ? Zn2 Zn2 2.6645(2) 25_465 ? Zn2 Zn2 2.6645(2) 25 ? Zn2 Zn3 2.6657(5) 25_565 ? Zn2 Zn3 2.6657(5) 1_455 ? Zn2 Zn3 2.6657(5) 25 ? Zn2 Zn3 2.6657(5) . ? Zn2 Ru 2.7911(4) 25 ? Zn2 Ru 2.7911(4) 25_455 ? Zn2 Ru 2.7911(4) 1_565 ? Zn3 Zn2 2.6657(5) 25_565 ? Zn3 Zn2 2.6657(5) 1_655 ? Zn3 Zn2 2.6657(5) 25 ? Zn3 Ru 2.6702(2) 1_665 ? Zn3 Ru 2.6702(2) 1_565 ? Zn3 Ru 2.6702(2) 1_655 ? Zn3 Zn1 2.7486(5) 3_655 ? Zn3 Zn1 2.7486(5) 1_655 ? Zn3 Zn1 2.7486(5) 3_665 ? 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 Zn1 Ru Zn1 61.000(10) 3 1_545 ? Zn1 Ru Zn1 91.742(17) 3 3_655 ? Zn1 Ru Zn1 61.000(10) 1_545 3_655 ? Zn1 Ru Zn1 61.000(10) 3 . ? Zn1 Ru Zn1 91.742(17) 1_545 . ? Zn1 Ru Zn1 61.000(10) 3_655 . ? Zn1 Ru Zn3 123.49(2) 3 . ? Zn1 Ru Zn3 123.49(2) 1_545 . ? Zn1 Ru Zn3 62.535(14) 3_655 . ? Zn1 Ru Zn3 62.535(14) . . ? Zn1 Ru Zn3 62.535(14) 3 1_445 ? Zn1 Ru Zn3 62.535(14) 1_545 1_445 ? Zn1 Ru Zn3 123.49(2) 3_655 1_445 ? Zn1 Ru Zn3 123.49(2) . 1_445 ? Zn3 Ru Zn3 172.55(4) . 1_445 ? Zn1 Ru Zn3 62.535(14) 3 1_455 ? Zn1 Ru Zn3 123.49(2) 1_545 1_455 ? Zn1 Ru Zn3 123.49(2) 3_655 1_455 ? Zn1 Ru Zn3 62.535(14) . 1_455 ? Zn3 Ru Zn3 89.758(3) . 1_455 ? Zn3 Ru Zn3 89.758(3) 1_445 1_455 ? Zn1 Ru Zn3 123.49(2) 3 1_545 ? Zn1 Ru Zn3 62.535(14) 1_545 1_545 ? Zn1 Ru Zn3 62.535(14) 3_655 1_545 ? Zn1 Ru Zn3 123.49(2) . 1_545 ? Zn3 Ru Zn3 89.758(3) . 1_545 ? Zn3 Ru Zn3 89.758(3) 1_445 1_545 ? Zn3 Ru Zn3 172.55(4) 1_455 1_545 ? Zn1 Ru Zn2 120.911(4) 3 . ? Zn1 Ru Zn2 176.586(15) 1_545 . ? Zn1 Ru Zn2 120.911(4) 3_655 . ? Zn1 Ru Zn2 91.673(7) . . ? Zn3 Ru Zn2 58.381(14) . . ? Zn3 Ru Zn2 115.36(2) 1_445 . ? Zn3 Ru Zn2 58.381(14) 1_455 . ? Zn3 Ru Zn2 115.36(2) 1_545 . ? Zn1 Ru Zn2 176.586(15) 3 25 ? Zn1 Ru Zn2 120.911(4) 1_545 25 ? Zn1 Ru Zn2 91.673(7) 3_655 25 ? Zn1 Ru Zn2 120.911(4) . 25 ? Zn3 Ru Zn2 58.381(14) . 25 ? Zn3 Ru Zn2 115.36(2) 1_445 25 ? Zn3 Ru Zn2 115.36(2) 1_455 25 ? Zn3 Ru Zn2 58.381(14) 1_545 25 ? Zn2 Ru Zn2 57.021(9) . 25 ? Zn1 Ru Zn2 120.911(4) 3 1_545 ? Zn1 Ru Zn2 91.673(7) 1_545 1_545 ? Zn1 Ru Zn2 120.911(4) 3_655 1_545 ? Zn1 Ru Zn2 176.586(15) . 1_545 ? Zn3 Ru Zn2 115.36(2) . 1_545 ? Zn3 Ru Zn2 58.381(14) 1_445 1_545 ? Zn3 Ru Zn2 115.36(2) 1_455 1_545 ? Zn3 Ru Zn2 58.381(14) 1_545 1_545 ? Zn2 Ru Zn2 84.913(15) . 1_545 ? Zn2 Ru Zn2 57.021(9) 25 1_545 ? Zn1 Ru Zn2 91.673(7) 3 25_455 ? Zn1 Ru Zn2 120.911(4) 1_545 25_455 ? Zn1 Ru Zn2 176.586(15) 3_655 25_455 ? Zn1 Ru Zn2 120.911(4) . 25_455 ? Zn3 Ru Zn2 115.36(2) . 25_455 ? Zn3 Ru Zn2 58.381(14) 1_445 25_455 ? Zn3 Ru Zn2 58.381(14) 1_455 25_455 ? Zn3 Ru Zn2 115.36(2) 1_545 25_455 ? Zn2 Ru Zn2 57.021(9) . 25_455 ? Zn2 Ru Zn2 84.913(15) 25 25_455 ? Zn2 Ru Zn2 57.021(9) 1_545 25_455 ? Ru Zn1 Ru 88.259(17) . 17 ? Ru Zn1 Ru 91.741(17) . 1_565 ? Ru Zn1 Ru 180.000(16) 17 1_565 ? Ru Zn1 Ru 180.0 . 17_565 ? Ru Zn1 Ru 91.741(17) 17 17_565 ? Ru Zn1 Ru 88.259(17) 1_565 17_565 ? Ru Zn1 Zn1 120.500(5) . 3_665 ? Ru Zn1 Zn1 120.500(5) 17 3_665 ? Ru Zn1 Zn1 59.500(5) 1_565 3_665 ? Ru Zn1 Zn1 59.500(5) 17_565 3_665 ? Ru Zn1 Zn1 59.500(5) . 3 ? Ru Zn1 Zn1 59.500(5) 17 3 ? Ru Zn1 Zn1 120.500(5) 1_565 3 ? Ru Zn1 Zn1 120.500(5) 17_565 3 ? Zn1 Zn1 Zn1 180.0 3_665 3 ? Ru Zn1 Zn1 120.500(5) . 3_565 ? Ru Zn1 Zn1 120.500(5) 17 3_565 ? Ru Zn1 Zn1 59.500(5) 1_565 3_565 ? Ru Zn1 Zn1 59.500(5) 17_565 3_565 ? Zn1 Zn1 Zn1 90.0 3_665 3_565 ? Zn1 Zn1 Zn1 90.0 3 3_565 ? Ru Zn1 Zn1 59.500(5) . 3_655 ? Ru Zn1 Zn1 59.500(5) 17 3_655 ? Ru Zn1 Zn1 120.500(5) 1_565 3_655 ? Ru Zn1 Zn1 120.500(5) 17_565 3_655 ? Zn1 Zn1 Zn1 90.0 3_665 3_655 ? Zn1 Zn1 Zn1 90.0 3 3_655 ? Zn1 Zn1 Zn1 180.0 3_565 3_655 ? Ru Zn1 Zn3 59.539(6) . . ? Ru Zn1 Zn3 120.462(6) 17 . ? Ru Zn1 Zn3 59.538(6) 1_565 . ? Ru Zn1 Zn3 120.462(6) 17_565 . ? Zn1 Zn1 Zn3 61.007(6) 3_665 . ? Zn1 Zn1 Zn3 118.993(6) 3 . ? Zn1 Zn1 Zn3 118.993(5) 3_565 . ? Zn1 Zn1 Zn3 61.007(6) 3_655 . ? Ru Zn1 Zn3 120.461(6) . 17_565 ? Ru Zn1 Zn3 59.538(6) 17 17_565 ? Ru Zn1 Zn3 120.462(6) 1_565 17_565 ? Ru Zn1 Zn3 59.538(6) 17_565 17_565 ? Zn1 Zn1 Zn3 118.993(6) 3_665 17_565 ? Zn1 Zn1 Zn3 61.007(6) 3 17_565 ? Zn1 Zn1 Zn3 61.007(6) 3_565 17_565 ? Zn1 Zn1 Zn3 118.993(6) 3_655 17_565 ? Zn3 Zn1 Zn3 180.0 . 17_565 ? Ru Zn1 Zn3 120.461(6) . 17_665 ? Ru Zn1 Zn3 59.538(6) 17 17_665 ? Ru Zn1 Zn3 120.462(6) 1_565 17_665 ? Ru Zn1 Zn3 59.538(6) 17_565 17_665 ? Zn1 Zn1 Zn3 61.007(6) 3_665 17_665 ? Zn1 Zn1 Zn3 118.993(6) 3 17_665 ? Zn1 Zn1 Zn3 118.993(5) 3_565 17_665 ? Zn1 Zn1 Zn3 61.007(5) 3_655 17_665 ? Zn3 Zn1 Zn3 93.454(19) . 17_665 ? Zn3 Zn1 Zn3 86.546(19) 17_565 17_665 ? Ru Zn1 Zn3 59.539(6) . 1_455 ? Ru Zn1 Zn3 120.462(6) 17 1_455 ? Ru Zn1 Zn3 59.538(6) 1_565 1_455 ? Ru Zn1 Zn3 120.462(6) 17_565 1_455 ? Zn1 Zn1 Zn3 118.993(6) 3_665 1_455 ? Zn1 Zn1 Zn3 61.007(6) 3 1_455 ? Zn1 Zn1 Zn3 61.007(5) 3_565 1_455 ? Zn1 Zn1 Zn3 118.993(5) 3_655 1_455 ? Zn3 Zn1 Zn3 86.546(19) . 1_455 ? Zn3 Zn1 Zn3 93.454(19) 17_565 1_455 ? Zn3 Zn1 Zn3 180.000(18) 17_665 1_455 ? Zn2 Zn2 Zn2 180.0 25_565 25_455 ? Zn2 Zn2 Zn2 90.0 25_565 25_465 ? Zn2 Zn2 Zn2 90.0 25_455 25_465 ? Zn2 Zn2 Zn2 90.0 25_565 25 ? Zn2 Zn2 Zn2 90.0 25_455 25 ? Zn2 Zn2 Zn2 180.0 25_465 25 ? Zn2 Zn2 Zn3 60.014(6) 25_565 25_565 ? Zn2 Zn2 Zn3 119.986(6) 25_455 25_565 ? Zn2 Zn2 Zn3 60.014(6) 25_465 25_565 ? Zn2 Zn2 Zn3 119.986(6) 25 25_565 ? Zn2 Zn2 Zn3 119.986(6) 25_565 1_455 ? Zn2 Zn2 Zn3 60.014(6) 25_455 1_455 ? Zn2 Zn2 Zn3 60.014(6) 25_465 1_455 ? Zn2 Zn2 Zn3 119.986(6) 25 1_455 ? Zn3 Zn2 Zn3 120.028(12) 25_565 1_455 ? Zn2 Zn2 Zn3 119.986(6) 25_565 25 ? Zn2 Zn2 Zn3 60.014(6) 25_455 25 ? Zn2 Zn2 Zn3 119.986(6) 25_465 25 ? Zn2 Zn2 Zn3 60.014(6) 25 25 ? Zn3 Zn2 Zn3 89.95(2) 25_565 25 ? Zn3 Zn2 Zn3 120.028(12) 1_455 25 ? Zn2 Zn2 Zn3 60.014(6) 25_565 . ? Zn2 Zn2 Zn3 119.986(6) 25_455 . ? Zn2 Zn2 Zn3 119.986(6) 25_465 . ? Zn2 Zn2 Zn3 60.014(6) 25 . ? Zn3 Zn2 Zn3 120.028(12) 25_565 . ? Zn3 Zn2 Zn3 89.95(2) 1_455 . ? Zn3 Zn2 Zn3 120.028(12) 25 . ? Zn2 Zn2 Ru 61.489(4) 25_565 25 ? Zn2 Zn2 Ru 118.511(4) 25_455 25 ? Zn2 Zn2 Ru 118.511(5) 25_465 25 ? Zn2 Zn2 Ru 61.489(5) 25 25 ? Zn3 Zn2 Ru 58.539(6) 25_565 25 ? Zn3 Zn2 Ru 177.481(14) 1_455 25 ? Zn3 Zn2 Ru 58.539(7) 25 25 ? Zn3 Zn2 Ru 92.568(11) . 25 ? Zn2 Zn2 Ru 118.511(5) 25_565 25_455 ? Zn2 Zn2 Ru 61.489(5) 25_455 25_455 ? Zn2 Zn2 Ru 61.489(5) 25_465 25_455 ? Zn2 Zn2 Ru 118.511(5) 25 25_455 ? Zn3 Zn2 Ru 58.539(7) 25_565 25_455 ? Zn3 Zn2 Ru 92.567(11) 1_455 25_455 ? Zn3 Zn2 Ru 58.539(7) 25 25_455 ? Zn3 Zn2 Ru 177.481(14) . 25_455 ? Ru Zn2 Ru 84.914(15) 25 25_455 ? Zn2 Zn2 Ru 61.489(5) 25_565 1_565 ? Zn2 Zn2 Ru 118.511(5) 25_455 1_565 ? Zn2 Zn2 Ru 61.489(5) 25_465 1_565 ? Zn2 Zn2 Ru 118.511(5) 25 1_565 ? Zn3 Zn2 Ru 92.567(11) 25_565 1_565 ? Zn3 Zn2 Ru 58.539(7) 1_455 1_565 ? Zn3 Zn2 Ru 177.481(14) 25 1_565 ? Zn3 Zn2 Ru 58.539(6) . 1_565 ? Ru Zn2 Ru 122.979(9) 25 1_565 ? Ru Zn2 Ru 122.979(9) 25_455 1_565 ? Zn2 Zn2 Ru 118.510(4) 25_565 . ? Zn2 Zn2 Ru 61.490(4) 25_455 . ? Zn2 Zn2 Ru 118.510(5) 25_465 . ? Zn2 Zn2 Ru 61.490(5) 25 . ? Zn3 Zn2 Ru 177.481(14) 25_565 . ? Zn3 Zn2 Ru 58.539(7) 1_455 . ? Zn3 Zn2 Ru 92.568(11) 25 . ? Zn3 Zn2 Ru 58.539(7) . . ? Ru Zn2 Ru 122.979(9) 25 . ? Ru Zn2 Ru 122.979(9) 25_455 . ? Ru Zn2 Ru 84.913(15) 1_565 . ? Zn2 Zn3 Zn2 59.972(12) 25_565 1_655 ? Zn2 Zn3 Zn2 89.95(2) 25_565 25 ? Zn2 Zn3 Zn2 59.972(12) 1_655 25 ? Zn2 Zn3 Zn2 59.972(12) 25_565 . ? Zn2 Zn3 Zn2 89.95(2) 1_655 . ? Zn2 Zn3 Zn2 59.972(12) 25 . ? Zn2 Zn3 Ru 63.079(13) 25_565 1_665 ? Zn2 Zn3 Ru 63.079(13) 1_655 1_665 ? Zn2 Zn3 Ru 123.00(2) 25 1_665 ? Zn2 Zn3 Ru 123.00(2) . 1_665 ? Zn2 Zn3 Ru 123.00(2) 25_565 . ? Zn2 Zn3 Ru 123.00(2) 1_655 . ? Zn2 Zn3 Ru 63.080(13) 25 . ? Zn2 Zn3 Ru 63.080(13) . . ? Ru Zn3 Ru 172.55(4) 1_665 . ? Zn2 Zn3 Ru 63.079(13) 25_565 1_565 ? Zn2 Zn3 Ru 123.00(2) 1_655 1_565 ? Zn2 Zn3 Ru 123.00(2) 25 1_565 ? Zn2 Zn3 Ru 63.079(13) . 1_565 ? Ru Zn3 Ru 89.758(3) 1_665 1_565 ? Ru Zn3 Ru 89.758(3) . 1_565 ? Zn2 Zn3 Ru 123.00(2) 25_565 1_655 ? Zn2 Zn3 Ru 63.079(13) 1_655 1_655 ? Zn2 Zn3 Ru 63.079(13) 25 1_655 ? Zn2 Zn3 Ru 123.00(2) . 1_655 ? Ru Zn3 Ru 89.758(3) 1_665 1_655 ? Ru Zn3 Ru 89.758(3) . 1_655 ? Ru Zn3 Ru 172.55(4) 1_565 1_655 ? Zn2 Zn3 Zn1 178.298(19) 25_565 3_655 ? Zn2 Zn3 Zn1 121.002(4) 1_655 3_655 ? Zn2 Zn3 Zn1 91.751(6) 25 3_655 ? Zn2 Zn3 Zn1 121.002(4) . 3_655 ? Ru Zn3 Zn1 115.87(2) 1_665 3_655 ? Ru Zn3 Zn1 57.927(13) . 3_655 ? Ru Zn3 Zn1 115.87(2) 1_565 3_655 ? Ru Zn3 Zn1 57.927(13) 1_655 3_655 ? Zn2 Zn3 Zn1 121.002(4) 25_565 . ? Zn2 Zn3 Zn1 178.298(19) 1_655 . ? Zn2 Zn3 Zn1 121.002(4) 25 . ? Zn2 Zn3 Zn1 91.751(6) . . ? Ru Zn3 Zn1 115.87(2) 1_665 . ? Ru Zn3 Zn1 57.927(13) . . ? Ru Zn3 Zn1 57.927(13) 1_565 . ? Ru Zn3 Zn1 115.87(2) 1_655 . ? Zn1 Zn3 Zn1 57.986(11) 3_655 . ? Zn2 Zn3 Zn1 121.002(4) 25_565 1_655 ? Zn2 Zn3 Zn1 91.751(6) 1_655 1_655 ? Zn2 Zn3 Zn1 121.002(4) 25 1_655 ? Zn2 Zn3 Zn1 178.298(19) . 1_655 ? Ru Zn3 Zn1 57.927(13) 1_665 1_655 ? Ru Zn3 Zn1 115.87(2) . 1_655 ? Ru Zn3 Zn1 115.87(2) 1_565 1_655 ? Ru Zn3 Zn1 57.927(13) 1_655 1_655 ? Zn1 Zn3 Zn1 57.986(11) 3_655 1_655 ? Zn1 Zn3 Zn1 86.546(19) . 1_655 ? Zn2 Zn3 Zn1 91.751(6) 25_565 3_665 ? Zn2 Zn3 Zn1 121.002(4) 1_655 3_665 ? Zn2 Zn3 Zn1 178.298(19) 25 3_665 ? Zn2 Zn3 Zn1 121.002(4) . 3_665 ? Ru Zn3 Zn1 57.927(13) 1_665 3_665 ? Ru Zn3 Zn1 115.87(2) . 3_665 ? Ru Zn3 Zn1 57.927(13) 1_565 3_665 ? Ru Zn3 Zn1 115.87(2) 1_655 3_665 ? Zn1 Zn3 Zn1 86.546(19) 3_655 3_665 ? Zn1 Zn3 Zn1 57.986(11) . 3_665 ? Zn1 Zn3 Zn1 57.986(11) 1_655 3_665 ? _diffrn_measured_fraction_theta_max 0.975 _diffrn_reflns_theta_full 32.82 _diffrn_measured_fraction_theta_full 0.975 _refine_diff_density_max 0.903 _refine_diff_density_min -1.108 _refine_diff_density_rms 0.215