data_nipdas71 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'As2 Cu0.63 Ni0.25 Pd10 Sb2 Sn0.13' _chemical_formula_weight 1526.57 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'Ni' 'Ni' 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cu' 'Cu' 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'As' 'As' 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pd' 'Pd' -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sn' 'Sn' -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sb' 'Sb' -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x+1/4, z+1/4' '-x+1/4, -y+1/4, z' 'y+1/4, -x, z+1/4' 'x+1/4, -z, y+1/4' 'x, -y+1/4, -z+1/4' 'x+1/4, z+1/4, -y' 'z+1/4, y+1/4, -x' '-x+1/4, y, -z+1/4' '-z, y+1/4, x+1/4' 'z, x, y' 'y, z, x' '-y+1/4, -z+1/4, x' 'z, -x+1/4, -y+1/4' '-y+1/4, z, -x+1/4' '-z+1/4, -x+1/4, y' '-z+1/4, x, -y+1/4' 'y, -z+1/4, -x+1/4' 'y+1/4, x+1/4, -z' '-y, -x, -z' '-x, z+1/4, y+1/4' '-x, -z, -y' 'z+1/4, -y, x+1/4' '-z, -y, -x' 'x, y+1/2, z+1/2' '-y, x+3/4, z+3/4' '-x+1/4, -y+3/4, z+1/2' 'y+1/4, -x+1/2, z+3/4' 'x+1/4, -z+1/2, y+3/4' 'x, -y+3/4, -z+3/4' 'x+1/4, z+3/4, -y+1/2' 'z+1/4, y+3/4, -x+1/2' '-x+1/4, y+1/2, -z+3/4' '-z, y+3/4, x+3/4' 'z, x+1/2, y+1/2' 'y, z+1/2, x+1/2' '-y+1/4, -z+3/4, x+1/2' 'z, -x+3/4, -y+3/4' '-y+1/4, z+1/2, -x+3/4' '-z+1/4, -x+3/4, y+1/2' '-z+1/4, x+1/2, -y+3/4' 'y, -z+3/4, -x+3/4' 'y+1/4, x+3/4, -z+1/2' '-y, -x+1/2, -z+1/2' '-x, z+3/4, y+3/4' '-x, -z+1/2, -y+1/2' 'z+1/4, -y+1/2, x+3/4' '-z, -y+1/2, -x+1/2' 'x+1/2, y, z+1/2' '-y+1/2, x+1/4, z+3/4' '-x+3/4, -y+1/4, z+1/2' 'y+3/4, -x, z+3/4' 'x+3/4, -z, y+3/4' 'x+1/2, -y+1/4, -z+3/4' 'x+3/4, z+1/4, -y+1/2' 'z+3/4, y+1/4, -x+1/2' '-x+3/4, y, -z+3/4' '-z+1/2, y+1/4, x+3/4' 'z+1/2, x, y+1/2' 'y+1/2, z, x+1/2' '-y+3/4, -z+1/4, x+1/2' 'z+1/2, -x+1/4, -y+3/4' '-y+3/4, z, -x+3/4' '-z+3/4, -x+1/4, y+1/2' '-z+3/4, x, -y+3/4' 'y+1/2, -z+1/4, -x+3/4' 'y+3/4, x+1/4, -z+1/2' '-y+1/2, -x, -z+1/2' '-x+1/2, z+1/4, y+3/4' '-x+1/2, -z, -y+1/2' 'z+3/4, -y, x+3/4' '-z+1/2, -y, -x+1/2' 'x+1/2, y+1/2, z' '-y+1/2, x+3/4, z+1/4' '-x+3/4, -y+3/4, z' 'y+3/4, -x+1/2, z+1/4' 'x+3/4, -z+1/2, y+1/4' 'x+1/2, -y+3/4, -z+1/4' 'x+3/4, z+3/4, -y' 'z+3/4, y+3/4, -x' '-x+3/4, y+1/2, -z+1/4' '-z+1/2, y+3/4, x+1/4' 'z+1/2, x+1/2, y' 'y+1/2, z+1/2, x' '-y+3/4, -z+3/4, x' 'z+1/2, -x+3/4, -y+1/4' '-y+3/4, z+1/2, -x+1/4' '-z+3/4, -x+3/4, y' '-z+3/4, x+1/2, -y+1/4' 'y+1/2, -z+3/4, -x+1/4' 'y+3/4, x+3/4, -z' '-y+1/2, -x+1/2, -z' '-x+1/2, z+3/4, y+1/4' '-x+1/2, -z+1/2, -y' 'z+3/4, -y+1/2, x+1/4' '-z+1/2, -y+1/2, -x' '-x, -y, -z' 'y, -x-1/4, -z-1/4' 'x-1/4, y-1/4, -z' '-y-1/4, x, -z-1/4' '-x-1/4, z, -y-1/4' '-x, y-1/4, z-1/4' '-x-1/4, -z-1/4, y' '-z-1/4, -y-1/4, x' 'x-1/4, -y, z-1/4' 'z, -y-1/4, -x-1/4' '-z, -x, -y' '-y, -z, -x' 'y-1/4, z-1/4, -x' '-z, x-1/4, y-1/4' 'y-1/4, -z, x-1/4' 'z-1/4, x-1/4, -y' 'z-1/4, -x, y-1/4' '-y, z-1/4, x-1/4' '-y-1/4, -x-1/4, z' 'y, x, z' 'x, -z-1/4, -y-1/4' 'x, z, y' '-z-1/4, y, -x-1/4' 'z, y, x' '-x, -y+1/2, -z+1/2' 'y, -x+1/4, -z+1/4' 'x-1/4, y+1/4, -z+1/2' '-y-1/4, x+1/2, -z+1/4' '-x-1/4, z+1/2, -y+1/4' '-x, y+1/4, z+1/4' '-x-1/4, -z+1/4, y+1/2' '-z-1/4, -y+1/4, x+1/2' 'x-1/4, -y+1/2, z+1/4' 'z, -y+1/4, -x+1/4' '-z, -x+1/2, -y+1/2' '-y, -z+1/2, -x+1/2' 'y-1/4, z+1/4, -x+1/2' '-z, x+1/4, y+1/4' 'y-1/4, -z+1/2, x+1/4' 'z-1/4, x+1/4, -y+1/2' 'z-1/4, -x+1/2, y+1/4' '-y, z+1/4, x+1/4' '-y-1/4, -x+1/4, z+1/2' 'y, x+1/2, z+1/2' 'x, -z+1/4, -y+1/4' 'x, z+1/2, y+1/2' '-z-1/4, y+1/2, -x+1/4' 'z, y+1/2, x+1/2' '-x+1/2, -y, -z+1/2' 'y+1/2, -x-1/4, -z+1/4' 'x+1/4, y-1/4, -z+1/2' '-y+1/4, x, -z+1/4' '-x+1/4, z, -y+1/4' '-x+1/2, y-1/4, z+1/4' '-x+1/4, -z-1/4, y+1/2' '-z+1/4, -y-1/4, x+1/2' 'x+1/4, -y, z+1/4' 'z+1/2, -y-1/4, -x+1/4' '-z+1/2, -x, -y+1/2' '-y+1/2, -z, -x+1/2' 'y+1/4, z-1/4, -x+1/2' '-z+1/2, x-1/4, y+1/4' 'y+1/4, -z, x+1/4' 'z+1/4, x-1/4, -y+1/2' 'z+1/4, -x, y+1/4' '-y+1/2, z-1/4, x+1/4' '-y+1/4, -x-1/4, z+1/2' 'y+1/2, x, z+1/2' 'x+1/2, -z-1/4, -y+1/4' 'x+1/2, z, y+1/2' '-z+1/4, y, -x+1/4' 'z+1/2, y, x+1/2' '-x+1/2, -y+1/2, -z' 'y+1/2, -x+1/4, -z-1/4' 'x+1/4, y+1/4, -z' '-y+1/4, x+1/2, -z-1/4' '-x+1/4, z+1/2, -y-1/4' '-x+1/2, y+1/4, z-1/4' '-x+1/4, -z+1/4, y' '-z+1/4, -y+1/4, x' 'x+1/4, -y+1/2, z-1/4' 'z+1/2, -y+1/4, -x-1/4' '-z+1/2, -x+1/2, -y' '-y+1/2, -z+1/2, -x' 'y+1/4, z+1/4, -x' '-z+1/2, x+1/4, y-1/4' 'y+1/4, -z+1/2, x-1/4' 'z+1/4, x+1/4, -y' 'z+1/4, -x+1/2, y-1/4' '-y+1/2, z+1/4, x-1/4' '-y+1/4, -x+1/4, z' 'y+1/2, x+1/2, z' 'x+1/2, -z+1/4, -y-1/4' 'x+1/2, z+1/2, y' '-z+1/4, y+1/2, -x-1/4' 'z+1/2, y+1/2, x' _cell_length_a 12.297(5) _cell_length_b 12.297(5) _cell_length_c 12.297(5) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 1859.3(14) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 10.907 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5275 _exptl_absorpt_coefficient_mu 33.743 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _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 ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 4390 _diffrn_reflns_av_R_equivalents 0.2563 _diffrn_reflns_av_sigmaI/netI 0.0607 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 2.87 _diffrn_reflns_theta_max 35.11 _reflns_number_total 236 _reflns_number_gt 178 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _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^)+(0.0573P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 236 _refine_ls_number_parameters 16 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0696 _refine_ls_R_factor_gt 0.0558 _refine_ls_wR_factor_ref 0.1020 _refine_ls_wR_factor_gt 0.0961 _refine_ls_goodness_of_fit_ref 1.052 _refine_ls_restrained_S_all 1.052 _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 Sb1 Sb 0.0000 0.0000 0.0000 0.0094(4) Uani 1 12 d S . . Pd1 Pd -0.3750 0.1250 0.1250 0.0107(9) Uani 0.59(4) 24 d SP . . Ni1 Ni -0.3750 0.1250 0.1250 0.0107(9) Uani 0.41(4) 24 d SP . . Pd2 Pd -0.15540(10) 0.1250 0.1250 0.0132(4) Uani 0.91(3) 4 d SP . . Cu1 Cu -0.15540(10) 0.1250 0.1250 0.0132(4) Uani 0.09(3) 4 d SP . . Pd3 Pd 0.03558(8) 0.21442(8) 0.03558(8) 0.0134(5) Uani 0.86(3) 6 d SP . . Cu2 Cu 0.03558(8) 0.21442(8) 0.03558(8) 0.0134(5) Uani 0.14(3) 6 d SP . . As1 As -0.5000 0.0000 0.0000 0.0114(6) Uani 1 12 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 Sb1 0.0094(4) 0.0094(4) 0.0094(4) 0.0000(3) 0.0000(3) 0.0000(3) Pd1 0.0107(9) 0.0107(9) 0.0107(9) 0.000 0.000 0.000 Ni1 0.0107(9) 0.0107(9) 0.0107(9) 0.000 0.000 0.000 Pd2 0.0119(6) 0.0139(5) 0.0139(5) 0.0029(4) 0.000 0.000 Cu1 0.0119(6) 0.0139(5) 0.0139(5) 0.0029(4) 0.000 0.000 Pd3 0.0134(5) 0.0134(5) 0.0134(5) -0.0022(3) 0.0022(3) -0.0022(3) Cu2 0.0134(5) 0.0134(5) 0.0134(5) -0.0022(3) 0.0022(3) -0.0022(3) As1 0.0114(6) 0.0114(6) 0.0114(6) 0.0014(5) 0.0014(5) 0.0014(5) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Sb1 Cu2 2.7083(13) 148 ? Sb1 Cu2 2.7083(13) 52_454 ? Sb1 Cu2 2.7083(13) 99 ? Sb1 Cu2 2.7083(13) 3 ? Sb1 Cu2 2.7083(13) 97 ? Sb1 Pd3 2.7083(13) 148 ? Sb1 Pd3 2.7083(13) 52_454 ? Sb1 Pd3 2.7083(13) 99 ? Sb1 Pd3 2.7083(13) 3 ? Sb1 Pd3 2.7083(13) 97 ? Sb1 Pd3 2.7083(13) . ? Pd1 As1 2.6623(11) . ? Pd1 As1 2.6623(11) 76_445 ? Pd1 As1 2.6623(11) 3_455 ? Pd1 As1 2.6623(11) 74_455 ? Pd1 Pd2 2.7004(17) . ? Pd1 Pd2 2.7004(17) 3_455 ? Pd1 Pd2 2.7004(17) 128 ? Pd1 Pd2 2.7004(17) 178_455 ? Pd1 Cu1 2.7004(17) 146_455 ? Pd1 Cu1 2.7004(17) 3_455 ? Pd1 Cu1 2.7004(17) 124 ? Pd2 As1 2.4654(12) 76_445 ? Pd2 As1 2.4654(12) 3_455 ? Pd2 Pd3 2.8165(16) . ? Pd2 Cu2 2.8165(16) 148 ? Pd2 Pd3 2.8165(16) 148 ? Pd2 Cu2 2.8852(17) 99 ? Pd2 Pd3 2.8852(17) 99 ? Pd2 Cu2 2.8852(17) 2 ? Pd2 Pd3 2.8852(17) 2 ? Pd3 Sb1 2.7083(13) 3 ? Pd3 Sb1 2.7083(13) 2 ? Pd3 Cu1 2.8165(16) 122 ? Pd3 Pd2 2.8165(16) 122 ? Pd3 Cu1 2.8165(16) 176 ? Pd3 Pd2 2.8165(16) 176 ? Pd3 Pd2 2.8852(17) 52_454 ? Pd3 Cu1 2.8852(17) 52_454 ? Pd3 Cu1 2.8852(17) 10 ? As1 Cu1 2.4655(12) 178_455 ? As1 Cu1 2.4655(12) 82_445 ? As1 Cu1 2.4655(12) 99 ? As1 Cu1 2.4655(12) 3_455 ? As1 Cu1 2.4655(12) 146_455 ? As1 Pd2 2.4655(12) 50_454 ? As1 Pd2 2.4655(12) 146_455 ? As1 Pd2 2.4655(12) 3_455 ? As1 Pd2 2.4655(12) 99 ? As1 Pd2 2.4655(12) 82_445 ? As1 Pd2 2.4655(12) 178_455 ? As1 Cu1 2.4655(12) 50_454 ? 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 Cu2 Sb1 Cu2 180.000(10) 148 52_454 ? Cu2 Sb1 Cu2 109.91(5) 148 99 ? Cu2 Sb1 Cu2 70.09(5) 52_454 99 ? Cu2 Sb1 Cu2 70.09(5) 148 3 ? Cu2 Sb1 Cu2 109.91(5) 52_454 3 ? Cu2 Sb1 Cu2 180.000(9) 99 3 ? Cu2 Sb1 Cu2 109.91(5) 148 97 ? Cu2 Sb1 Cu2 70.09(5) 52_454 97 ? Cu2 Sb1 Cu2 70.09(5) 99 97 ? Cu2 Sb1 Cu2 109.91(5) 3 97 ? Cu2 Sb1 Pd3 0.00(9) 148 148 ? Cu2 Sb1 Pd3 180.00(9) 52_454 148 ? Cu2 Sb1 Pd3 109.91(5) 99 148 ? Cu2 Sb1 Pd3 70.09(5) 3 148 ? Cu2 Sb1 Pd3 109.91(5) 97 148 ? Cu2 Sb1 Pd3 180.000(10) 148 52_454 ? Cu2 Sb1 Pd3 0.000(10) 52_454 52_454 ? Cu2 Sb1 Pd3 70.09(5) 99 52_454 ? Cu2 Sb1 Pd3 109.91(5) 3 52_454 ? Cu2 Sb1 Pd3 70.09(5) 97 52_454 ? Pd3 Sb1 Pd3 180.000(10) 148 52_454 ? Cu2 Sb1 Pd3 109.91(5) 148 99 ? Cu2 Sb1 Pd3 70.09(5) 52_454 99 ? Cu2 Sb1 Pd3 0.00(7) 99 99 ? Cu2 Sb1 Pd3 180.000(9) 3 99 ? Cu2 Sb1 Pd3 70.09(5) 97 99 ? Pd3 Sb1 Pd3 109.91(5) 148 99 ? Pd3 Sb1 Pd3 70.09(5) 52_454 99 ? Cu2 Sb1 Pd3 70.09(5) 148 3 ? Cu2 Sb1 Pd3 109.91(5) 52_454 3 ? Cu2 Sb1 Pd3 180.000(9) 99 3 ? Cu2 Sb1 Pd3 0.00(9) 3 3 ? Cu2 Sb1 Pd3 109.91(5) 97 3 ? Pd3 Sb1 Pd3 70.09(5) 148 3 ? Pd3 Sb1 Pd3 109.91(5) 52_454 3 ? Pd3 Sb1 Pd3 180.000(9) 99 3 ? Cu2 Sb1 Pd3 109.91(5) 148 97 ? Cu2 Sb1 Pd3 70.09(5) 52_454 97 ? Cu2 Sb1 Pd3 70.09(5) 99 97 ? Cu2 Sb1 Pd3 109.91(5) 3 97 ? Cu2 Sb1 Pd3 0.00(3) 97 97 ? Pd3 Sb1 Pd3 109.91(5) 148 97 ? Pd3 Sb1 Pd3 70.09(5) 52_454 97 ? Pd3 Sb1 Pd3 70.09(5) 99 97 ? Pd3 Sb1 Pd3 109.91(5) 3 97 ? Cu2 Sb1 Pd3 70.09(5) 148 . ? Cu2 Sb1 Pd3 109.91(5) 52_454 . ? Cu2 Sb1 Pd3 109.91(5) 99 . ? Cu2 Sb1 Pd3 70.09(5) 3 . ? Cu2 Sb1 Pd3 180.0 97 . ? Pd3 Sb1 Pd3 70.09(5) 148 . ? Pd3 Sb1 Pd3 109.91(5) 52_454 . ? Pd3 Sb1 Pd3 109.91(5) 99 . ? Pd3 Sb1 Pd3 70.09(5) 3 . ? Pd3 Sb1 Pd3 180.0 97 . ? As1 Pd1 As1 109.5 . 76_445 ? As1 Pd1 As1 109.5 . 3_455 ? As1 Pd1 As1 109.471(1) 76_445 3_455 ? As1 Pd1 As1 109.5 . 74_455 ? As1 Pd1 As1 109.5 76_445 74_455 ? As1 Pd1 As1 109.5 3_455 74_455 ? As1 Pd1 Pd2 125.3 . . ? As1 Pd1 Pd2 54.7 76_445 . ? As1 Pd1 Pd2 54.7 3_455 . ? As1 Pd1 Pd2 125.3 74_455 . ? As1 Pd1 Pd2 54.7 . 3_455 ? As1 Pd1 Pd2 125.3 76_445 3_455 ? As1 Pd1 Pd2 125.3 3_455 3_455 ? As1 Pd1 Pd2 54.7 74_455 3_455 ? Pd2 Pd1 Pd2 180.0 . 3_455 ? As1 Pd1 Pd2 125.3 . 128 ? As1 Pd1 Pd2 54.7 76_445 128 ? As1 Pd1 Pd2 125.3 3_455 128 ? As1 Pd1 Pd2 54.7 74_455 128 ? Pd2 Pd1 Pd2 90.0 . 128 ? Pd2 Pd1 Pd2 90.0 3_455 128 ? As1 Pd1 Pd2 54.7 . 178_455 ? As1 Pd1 Pd2 125.3 76_445 178_455 ? As1 Pd1 Pd2 54.7 3_455 178_455 ? As1 Pd1 Pd2 125.3 74_455 178_455 ? Pd2 Pd1 Pd2 90.0 . 178_455 ? Pd2 Pd1 Pd2 90.0 3_455 178_455 ? Pd2 Pd1 Pd2 180.0 128 178_455 ? As1 Pd1 Cu1 54.7 . 146_455 ? As1 Pd1 Cu1 54.7 76_445 146_455 ? As1 Pd1 Cu1 125.3 3_455 146_455 ? As1 Pd1 Cu1 125.3 74_455 146_455 ? Pd2 Pd1 Cu1 90.0 . 146_455 ? Pd2 Pd1 Cu1 90.0 3_455 146_455 ? Pd2 Pd1 Cu1 90.0 128 146_455 ? Pd2 Pd1 Cu1 90.0 178_455 146_455 ? As1 Pd1 Cu1 54.7 . 3_455 ? As1 Pd1 Cu1 125.3 76_445 3_455 ? As1 Pd1 Cu1 125.3 3_455 3_455 ? As1 Pd1 Cu1 54.7 74_455 3_455 ? Pd2 Pd1 Cu1 180.0 . 3_455 ? Pd2 Pd1 Cu1 0.0 3_455 3_455 ? Pd2 Pd1 Cu1 90.0 128 3_455 ? Pd2 Pd1 Cu1 90.0 178_455 3_455 ? Cu1 Pd1 Cu1 90.0 146_455 3_455 ? As1 Pd1 Cu1 125.3 . 124 ? As1 Pd1 Cu1 125.3 76_445 124 ? As1 Pd1 Cu1 54.7 3_455 124 ? As1 Pd1 Cu1 54.7 74_455 124 ? Pd2 Pd1 Cu1 90.0 . 124 ? Pd2 Pd1 Cu1 90.0 3_455 124 ? Pd2 Pd1 Cu1 90.0 128 124 ? Pd2 Pd1 Cu1 90.0 178_455 124 ? Cu1 Pd1 Cu1 180.0 146_455 124 ? Cu1 Pd1 Cu1 90.0 3_455 124 ? As1 Pd2 As1 123.69(5) 76_445 3_455 ? As1 Pd2 Pd1 61.85(3) 76_445 . ? As1 Pd2 Pd1 61.85(3) 3_455 . ? As1 Pd2 Pd3 151.67(5) 76_445 . ? As1 Pd2 Pd3 84.64(4) 3_455 . ? Pd1 Pd2 Pd3 146.49(4) . . ? As1 Pd2 Cu2 84.64(4) 76_445 148 ? As1 Pd2 Cu2 151.67(5) 3_455 148 ? Pd1 Pd2 Cu2 146.49(4) . 148 ? Pd3 Pd2 Cu2 67.03(8) . 148 ? As1 Pd2 Pd3 84.64(4) 76_445 148 ? As1 Pd2 Pd3 151.67(5) 3_455 148 ? Pd1 Pd2 Pd3 146.49(4) . 148 ? Pd3 Pd2 Pd3 67.03(8) . 148 ? Cu2 Pd2 Pd3 0.00(7) 148 148 ? As1 Pd2 Cu2 83.18(2) 76_445 99 ? As1 Pd2 Cu2 83.18(2) 3_455 99 ? Pd1 Pd2 Cu2 75.43(4) . 99 ? Pd3 Pd2 Cu2 102.11(2) . 99 ? Cu2 Pd2 Cu2 102.11(2) 148 99 ? Pd3 Pd2 Cu2 102.11(2) 148 99 ? As1 Pd2 Pd3 83.18(2) 76_445 99 ? As1 Pd2 Pd3 83.18(2) 3_455 99 ? Pd1 Pd2 Pd3 75.43(4) . 99 ? Pd3 Pd2 Pd3 102.11(2) . 99 ? Cu2 Pd2 Pd3 102.11(2) 148 99 ? Pd3 Pd2 Pd3 102.11(2) 148 99 ? Cu2 Pd2 Pd3 0.000(19) 99 99 ? As1 Pd2 Cu2 83.18(2) 76_445 2 ? As1 Pd2 Cu2 83.18(2) 3_455 2 ? Pd1 Pd2 Cu2 75.43(4) . 2 ? Pd3 Pd2 Cu2 102.11(2) . 2 ? Cu2 Pd2 Cu2 102.11(2) 148 2 ? Pd3 Pd2 Cu2 102.11(2) 148 2 ? Cu2 Pd2 Cu2 150.86(7) 99 2 ? Pd3 Pd2 Cu2 150.86(7) 99 2 ? As1 Pd2 Pd3 83.18(2) 76_445 2 ? As1 Pd2 Pd3 83.18(2) 3_455 2 ? Pd1 Pd2 Pd3 75.43(4) . 2 ? Pd3 Pd2 Pd3 102.11(2) . 2 ? Cu2 Pd2 Pd3 102.11(2) 148 2 ? Pd3 Pd2 Pd3 102.11(2) 148 2 ? Cu2 Pd2 Pd3 150.86(7) 99 2 ? Pd3 Pd2 Pd3 150.86(7) 99 2 ? Cu2 Pd2 Pd3 0.000(9) 2 2 ? Sb1 Pd3 Sb1 106.76(4) . 3 ? Sb1 Pd3 Sb1 106.76(4) . 2 ? Sb1 Pd3 Sb1 106.76(4) 3 2 ? Sb1 Pd3 Cu1 159.69(7) . 122 ? Sb1 Pd3 Cu1 63.147(10) 3 122 ? Sb1 Pd3 Cu1 63.147(9) 2 122 ? Sb1 Pd3 Pd2 159.69(7) . 122 ? Sb1 Pd3 Pd2 63.147(10) 3 122 ? Sb1 Pd3 Pd2 63.147(9) 2 122 ? Cu1 Pd3 Pd2 0.00(3) 122 122 ? Sb1 Pd3 Cu1 63.147(10) . 176 ? Sb1 Pd3 Cu1 63.147(10) 3 176 ? Sb1 Pd3 Cu1 159.69(7) 2 176 ? Cu1 Pd3 Cu1 119.907(4) 122 176 ? Pd2 Pd3 Cu1 119.907(4) 122 176 ? Sb1 Pd3 Pd2 63.147(10) . 176 ? Sb1 Pd3 Pd2 63.147(10) 3 176 ? Sb1 Pd3 Pd2 159.69(7) 2 176 ? Cu1 Pd3 Pd2 119.907(4) 122 176 ? Pd2 Pd3 Pd2 119.907(4) 122 176 ? Cu1 Pd3 Pd2 0.00(3) 176 176 ? Sb1 Pd3 Pd2 63.147(10) . . ? Sb1 Pd3 Pd2 159.69(7) 3 . ? Sb1 Pd3 Pd2 63.147(10) 2 . ? Cu1 Pd3 Pd2 119.907(4) 122 . ? Pd2 Pd3 Pd2 119.907(4) 122 . ? Cu1 Pd3 Pd2 119.907(4) 176 . ? Pd2 Pd3 Pd2 119.907(4) 176 . ? Sb1 Pd3 Pd2 62.22(3) . 52_454 ? Sb1 Pd3 Pd2 126.610(19) 3 52_454 ? Sb1 Pd3 Pd2 126.610(19) 2 52_454 ? Cu1 Pd3 Pd2 138.08(7) 122 52_454 ? Pd2 Pd3 Pd2 138.08(7) 122 52_454 ? Cu1 Pd3 Pd2 66.320(16) 176 52_454 ? Pd2 Pd3 Pd2 66.320(16) 176 52_454 ? Pd2 Pd3 Pd2 66.320(16) . 52_454 ? Sb1 Pd3 Cu1 62.22(3) . 52_454 ? Sb1 Pd3 Cu1 126.610(19) 3 52_454 ? Sb1 Pd3 Cu1 126.610(19) 2 52_454 ? Cu1 Pd3 Cu1 138.08(7) 122 52_454 ? Pd2 Pd3 Cu1 138.08(7) 122 52_454 ? Cu1 Pd3 Cu1 66.320(16) 176 52_454 ? Pd2 Pd3 Cu1 66.320(16) 176 52_454 ? Pd2 Pd3 Cu1 66.320(16) . 52_454 ? Pd2 Pd3 Cu1 0.0 52_454 52_454 ? Sb1 Pd3 Cu1 126.610(19) . 10 ? Sb1 Pd3 Cu1 126.610(19) 3 10 ? Sb1 Pd3 Cu1 62.22(3) 2 10 ? Cu1 Pd3 Cu1 66.320(16) 122 10 ? Pd2 Pd3 Cu1 66.320(16) 122 10 ? Cu1 Pd3 Cu1 138.08(7) 176 10 ? Pd2 Pd3 Cu1 138.08(7) 176 10 ? Pd2 Pd3 Cu1 66.320(16) . 10 ? Pd2 Pd3 Cu1 82.88(5) 52_454 10 ? Cu1 Pd3 Cu1 82.88(5) 52_454 10 ? Cu1 As1 Cu1 180.00(5) 178_455 82_445 ? Cu1 As1 Cu1 78.48(3) 178_455 99 ? Cu1 As1 Cu1 101.52(3) 82_445 99 ? Cu1 As1 Cu1 101.52(3) 178_455 3_455 ? Cu1 As1 Cu1 78.48(3) 82_445 3_455 ? Cu1 As1 Cu1 180.00(5) 99 3_455 ? Cu1 As1 Cu1 101.52(3) 178_455 146_455 ? Cu1 As1 Cu1 78.48(3) 82_445 146_455 ? Cu1 As1 Cu1 78.48(3) 99 146_455 ? Cu1 As1 Cu1 101.52(3) 3_455 146_455 ? Cu1 As1 Pd2 78.48(3) 178_455 50_454 ? Cu1 As1 Pd2 101.52(3) 82_445 50_454 ? Cu1 As1 Pd2 101.52(3) 99 50_454 ? Cu1 As1 Pd2 78.48(3) 3_455 50_454 ? Cu1 As1 Pd2 180.00(5) 146_455 50_454 ? Cu1 As1 Pd2 101.52(3) 178_455 146_455 ? Cu1 As1 Pd2 78.48(3) 82_445 146_455 ? Cu1 As1 Pd2 78.48(3) 99 146_455 ? Cu1 As1 Pd2 101.52(3) 3_455 146_455 ? Cu1 As1 Pd2 0.00(5) 146_455 146_455 ? Pd2 As1 Pd2 180.00(5) 50_454 146_455 ? Cu1 As1 Pd2 101.52(3) 178_455 3_455 ? Cu1 As1 Pd2 78.48(3) 82_445 3_455 ? Cu1 As1 Pd2 180.00(5) 99 3_455 ? Cu1 As1 Pd2 0.00(5) 3_455 3_455 ? Cu1 As1 Pd2 101.52(3) 146_455 3_455 ? Pd2 As1 Pd2 78.48(3) 50_454 3_455 ? Pd2 As1 Pd2 101.52(3) 146_455 3_455 ? Cu1 As1 Pd2 78.48(3) 178_455 99 ? Cu1 As1 Pd2 101.52(3) 82_445 99 ? Cu1 As1 Pd2 0.00(5) 99 99 ? Cu1 As1 Pd2 180.00(5) 3_455 99 ? Cu1 As1 Pd2 78.48(3) 146_455 99 ? Pd2 As1 Pd2 101.52(3) 50_454 99 ? Pd2 As1 Pd2 78.48(3) 146_455 99 ? Pd2 As1 Pd2 180.00(5) 3_455 99 ? Cu1 As1 Pd2 180.00(5) 178_455 82_445 ? Cu1 As1 Pd2 0.00(5) 82_445 82_445 ? Cu1 As1 Pd2 101.52(3) 99 82_445 ? Cu1 As1 Pd2 78.48(3) 3_455 82_445 ? Cu1 As1 Pd2 78.48(3) 146_455 82_445 ? Pd2 As1 Pd2 101.52(3) 50_454 82_445 ? Pd2 As1 Pd2 78.48(3) 146_455 82_445 ? Pd2 As1 Pd2 78.48(3) 3_455 82_445 ? Pd2 As1 Pd2 101.52(3) 99 82_445 ? Cu1 As1 Pd2 0.00(5) 178_455 178_455 ? Cu1 As1 Pd2 180.00(5) 82_445 178_455 ? Cu1 As1 Pd2 78.48(3) 99 178_455 ? Cu1 As1 Pd2 101.52(3) 3_455 178_455 ? Cu1 As1 Pd2 101.52(3) 146_455 178_455 ? Pd2 As1 Pd2 78.48(3) 50_454 178_455 ? Pd2 As1 Pd2 101.52(3) 146_455 178_455 ? Pd2 As1 Pd2 101.52(3) 3_455 178_455 ? Pd2 As1 Pd2 78.48(3) 99 178_455 ? Pd2 As1 Pd2 180.00(5) 82_445 178_455 ? Cu1 As1 Cu1 78.48(3) 178_455 50_454 ? Cu1 As1 Cu1 101.52(3) 82_445 50_454 ? Cu1 As1 Cu1 101.52(3) 99 50_454 ? Cu1 As1 Cu1 78.48(3) 3_455 50_454 ? Cu1 As1 Cu1 180.00(5) 146_455 50_454 ? Pd2 As1 Cu1 0.00(5) 50_454 50_454 ? Pd2 As1 Cu1 180.00(5) 146_455 50_454 ? Pd2 As1 Cu1 78.48(3) 3_455 50_454 ? Pd2 As1 Cu1 101.52(3) 99 50_454 ? Pd2 As1 Cu1 101.52(3) 82_445 50_454 ? Pd2 As1 Cu1 78.48(3) 178_455 50_454 ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 35.11 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 2.229 _refine_diff_density_min -3.407 _refine_diff_density_rms 0.713