# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2012 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_email attaullah86@hotmail.com _publ_contact_author_name 'Atta Khan' loop_ _publ_author_name 'Atta Khan' 'Peter Rogl' 'Gerald Giester' data_new2 _database_code_depnum_ccdc_archive 'CCDC 849733' #TrackingRef '- MoPd2Al8.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Al7 Mo Pd2' _chemical_formula_weight 497.60 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Mo Mo -1.6832 0.6857 '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' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' 'x, -y+1/2, -z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, y, -z-1/2' '-x, y-1/2, z' 'x, -y-1/2, z-1/2' _cell_length_a 7.8153(2) _cell_length_b 10.2643(3) _cell_length_c 8.6098(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 690.67(3) _cell_formula_units_Z 2 _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 2.393 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 450 _exptl_absorpt_coefficient_mu 3.858 _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 2967 _diffrn_reflns_av_R_equivalents 0.0340 _diffrn_reflns_av_sigmaI/netI 0.0401 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 3.28 _diffrn_reflns_theta_max 36.03 _reflns_number_total 1667 _reflns_number_gt 1296 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _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^)+(0.0111P)^2^+1.5431P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00120(8) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 1667 _refine_ls_number_parameters 62 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0511 _refine_ls_R_factor_gt 0.0287 _refine_ls_wR_factor_ref 0.0437 _refine_ls_wR_factor_gt 0.0402 _refine_ls_goodness_of_fit_ref 1.043 _refine_ls_restrained_S_all 1.043 _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 Mo1 Mo 0.50327(4) 0.11158(3) 0.2500 0.00529(7) Uani 1 2 d S . . Pd1 Pd 0.73677(4) 0.36597(3) 0.2500 0.00711(9) Uani 0.9326(18) 2 d SP . . Al7 Al 0.73677(4) 0.36597(3) 0.2500 0.00711(9) Uani 0.0674(18) 2 d SP . . Pd2 Pd 0.26283(4) 0.2500 0.0000 0.00657(7) Uani 1 2 d S . . Al1 Al 0.16898(16) 0.62618(13) 0.2500 0.0133(3) Uani 1 2 d S . . Al2 Al 0.39639(16) 0.35979(12) 0.2500 0.0093(2) Uani 1 2 d S . . Al3 Al 0.60212(15) 0.2500 0.0000 0.0084(2) Uani 1 2 d S . . Al4 Al 0.32725(10) 0.00329(9) 0.00446(10) 0.00851(15) Uani 1 1 d . . . Al5 Al 0.16283(15) 0.13015(13) 0.2500 0.0104(2) Uani 1 2 d S . . Al6 Al 0.00070(11) 0.38245(8) 0.07926(10) 0.01100(17) Uani 1 1 d . . . 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 Mo1 0.00519(14) 0.00596(14) 0.00471(13) 0.000 0.000 0.00095(11) Pd1 0.00753(15) 0.00778(14) 0.00603(13) 0.000 0.000 0.00016(11) Al7 0.00753(15) 0.00778(14) 0.00603(13) 0.000 0.000 0.00016(11) Pd2 0.00679(13) 0.00605(12) 0.00688(12) -0.00029(10) 0.000 0.000 Al1 0.0071(5) 0.0165(7) 0.0164(7) 0.000 0.000 0.0004(5) Al2 0.0154(6) 0.0060(5) 0.0066(5) 0.000 0.000 -0.0008(5) Al3 0.0094(5) 0.0073(5) 0.0085(5) 0.0008(5) 0.000 0.000 Al4 0.0121(4) 0.0064(3) 0.0071(3) -0.0001(3) 0.0019(3) 0.0003(3) Al5 0.0059(5) 0.0172(7) 0.0079(6) 0.000 0.000 -0.0010(5) Al6 0.0087(4) 0.0119(4) 0.0124(4) 0.0020(3) 0.0030(3) 0.0023(3) _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 Mo1 Al1 2.5658(13) 7_655 ? Mo1 Al5 2.6675(12) . ? Mo1 Al2 2.6811(13) . ? Mo1 Al3 2.6923(4) 6_556 ? Mo1 Al3 2.6923(4) . ? Mo1 Al2 2.7008(13) 7_655 ? Mo1 Al4 2.7563(9) . ? Mo1 Al4 2.7563(9) 6_556 ? Mo1 Al4 2.8186(9) 2_655 ? Mo1 Al4 2.8186(9) 5_655 ? Mo1 Pd1 3.1424(4) 7_655 ? Mo1 Pd1 3.1856(4) . ? Pd1 Al6 2.5385(9) 6_656 ? Pd1 Al6 2.5385(9) 1_655 ? Pd1 Al1 2.5692(14) 7_655 ? Pd1 Al4 2.5896(9) 4_655 ? Pd1 Al4 2.5896(9) 7_665 ? Pd1 Al2 2.6609(13) . ? Pd1 Al3 2.6753(5) . ? Pd1 Al3 2.6753(5) 6_556 ? Pd1 Al5 2.8228(14) 7_665 ? Pd1 Mo1 3.1424(4) 7_665 ? Pd2 Al6 2.5516(8) 3 ? Pd2 Al6 2.5516(8) . ? Pd2 Al4 2.5822(9) 3 ? Pd2 Al4 2.5822(9) . ? Pd2 Al5 2.5994(7) 3 ? Pd2 Al5 2.5994(7) . ? Pd2 Al2 2.6443(7) . ? Pd2 Al2 2.6443(7) 3 ? Pd2 Al3 2.6517(12) . ? Pd2 Mo1 3.1910(3) 3 ? Al1 Mo1 2.5658(13) 7_665 ? Al1 Al7 2.5692(14) 7_665 ? Al1 Pd1 2.5692(14) 7_665 ? Al1 Al5 2.5936(17) 7_565 ? Al1 Al4 2.8453(12) 3 ? Al1 Al4 2.8453(12) 8_566 ? Al2 Pd2 2.6443(7) 6_556 ? Al2 Al4 2.6584(12) 8_566 ? Al2 Al4 2.6584(12) 3 ? Al2 Mo1 2.7008(13) 7_665 ? Al2 Al3 2.9135(10) 6_556 ? Al2 Al3 2.9135(10) . ? Al2 Al5 2.9812(18) . ? Al3 Al4 2.6580(10) 7_665 ? Al3 Al4 2.6580(10) 5_655 ? Al3 Al7 2.6753(5) 3 ? Al3 Pd1 2.6753(5) 3 ? Al3 Mo1 2.6923(4) 3 ? Al3 Al2 2.9135(10) 3 ? Al4 Al7 2.5896(9) 7_655 ? Al4 Pd1 2.5896(9) 7_655 ? Al4 Al3 2.6580(10) 5_655 ? Al4 Al2 2.6584(12) 3 ? Al4 Al4 2.7022(16) 5_655 ? Al4 Al5 2.7957(12) . ? Al4 Mo1 2.8186(9) 5_655 ? Al4 Al1 2.8453(12) 3 ? Al4 Al6 2.8997(12) 3 ? Al4 Al6 2.9192(12) 7 ? Al5 Al1 2.5936(17) 7 ? Al5 Pd2 2.5994(7) 6_556 ? Al5 Al4 2.7957(12) 6_556 ? Al5 Al7 2.8228(14) 7_655 ? Al5 Pd1 2.8228(14) 7_655 ? Al6 Al7 2.5385(9) 1_455 ? Al6 Pd1 2.5385(9) 1_455 ? Al6 Al6 2.7725(17) 5_565 ? Al6 Al4 2.8997(12) 3 ? Al6 Al4 2.9192(12) 7_565 ? Al6 Al6 2.9401(18) 6_556 ? 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 Al1 Mo1 Al5 172.56(4) 7_655 . ? Al1 Mo1 Al2 104.81(4) 7_655 . ? Al5 Mo1 Al2 67.75(4) . . ? Al1 Mo1 Al3 71.50(3) 7_655 6_556 ? Al5 Mo1 Al3 104.39(3) . 6_556 ? Al2 Mo1 Al3 65.667(18) . 6_556 ? Al1 Mo1 Al3 71.50(3) 7_655 . ? Al5 Mo1 Al3 104.39(3) . . ? Al2 Mo1 Al3 65.667(18) . . ? Al3 Mo1 Al3 106.16(2) 6_556 . ? Al1 Mo1 Al2 76.47(4) 7_655 7_655 ? Al5 Mo1 Al2 110.98(4) . 7_655 ? Al2 Mo1 Al2 178.73(2) . 7_655 ? Al3 Mo1 Al2 114.939(17) 6_556 7_655 ? Al3 Mo1 Al2 114.939(17) . 7_655 ? Al1 Mo1 Al4 121.45(2) 7_655 . ? Al5 Mo1 Al4 62.03(2) . . ? Al2 Mo1 Al4 103.16(3) . . ? Al3 Mo1 Al4 165.75(3) 6_556 . ? Al3 Mo1 Al4 75.10(2) . . ? Al2 Mo1 Al4 76.05(3) 7_655 . ? Al1 Mo1 Al4 121.45(2) 7_655 6_556 ? Al5 Mo1 Al4 62.03(2) . 6_556 ? Al2 Mo1 Al4 103.16(3) . 6_556 ? Al3 Mo1 Al4 75.10(2) 6_556 6_556 ? Al3 Mo1 Al4 165.75(3) . 6_556 ? Al2 Mo1 Al4 76.05(3) 7_655 6_556 ? Al4 Mo1 Al4 100.17(4) . 6_556 ? Al1 Mo1 Al4 63.60(2) 7_655 2_655 ? Al5 Mo1 Al4 119.91(2) . 2_655 ? Al2 Mo1 Al4 122.95(2) . 2_655 ? Al3 Mo1 Al4 57.62(2) 6_556 2_655 ? Al3 Mo1 Al4 135.02(3) . 2_655 ? Al2 Mo1 Al4 57.54(2) 7_655 2_655 ? Al4 Mo1 Al4 131.453(14) . 2_655 ? Al4 Mo1 Al4 57.97(3) 6_556 2_655 ? Al1 Mo1 Al4 63.60(2) 7_655 5_655 ? Al5 Mo1 Al4 119.91(2) . 5_655 ? Al2 Mo1 Al4 122.95(2) . 5_655 ? Al3 Mo1 Al4 135.02(3) 6_556 5_655 ? Al3 Mo1 Al4 57.62(2) . 5_655 ? Al2 Mo1 Al4 57.54(2) 7_655 5_655 ? Al4 Mo1 Al4 57.97(3) . 5_655 ? Al4 Mo1 Al4 131.453(14) 6_556 5_655 ? Al4 Mo1 Al4 102.03(4) 2_655 5_655 ? Al1 Mo1 Pd1 130.00(3) 7_655 7_655 ? Al5 Mo1 Pd1 57.44(3) . 7_655 ? Al2 Mo1 Pd1 125.19(3) . 7_655 ? Al3 Mo1 Pd1 126.488(14) 6_556 7_655 ? Al3 Mo1 Pd1 126.488(14) . 7_655 ? Al2 Mo1 Pd1 53.53(3) 7_655 7_655 ? Al4 Mo1 Pd1 51.575(19) . 7_655 ? Al4 Mo1 Pd1 51.575(19) 6_556 7_655 ? Al4 Mo1 Pd1 86.844(19) 2_655 7_655 ? Al4 Mo1 Pd1 86.844(19) 5_655 7_655 ? Al1 Mo1 Pd1 51.70(3) 7_655 . ? Al5 Mo1 Pd1 120.85(3) . . ? Al2 Mo1 Pd1 53.10(3) . . ? Al3 Mo1 Pd1 53.350(13) 6_556 . ? Al3 Mo1 Pd1 53.350(13) . . ? Al2 Mo1 Pd1 128.17(3) 7_655 . ? Al4 Mo1 Pd1 128.059(19) . . ? Al4 Mo1 Pd1 128.059(19) 6_556 . ? Al4 Mo1 Pd1 94.23(2) 2_655 . ? Al4 Mo1 Pd1 94.23(2) 5_655 . ? Pd1 Mo1 Pd1 178.294(13) 7_655 . ? Al6 Pd1 Al6 70.77(4) 6_656 1_655 ? Al6 Pd1 Al1 80.26(3) 6_656 7_655 ? Al6 Pd1 Al1 80.26(3) 1_655 7_655 ? Al6 Pd1 Al4 69.39(3) 6_656 4_655 ? Al6 Pd1 Al4 126.40(3) 1_655 4_655 ? Al1 Pd1 Al4 125.23(2) 7_655 4_655 ? Al6 Pd1 Al4 126.40(3) 6_656 7_665 ? Al6 Pd1 Al4 69.39(3) 1_655 7_665 ? Al1 Pd1 Al4 125.23(2) 7_655 7_665 ? Al4 Pd1 Al4 109.45(4) 4_655 7_665 ? Al6 Pd1 Al2 144.48(2) 6_656 . ? Al6 Pd1 Al2 144.48(2) 1_655 . ? Al1 Pd1 Al2 105.29(4) 7_655 . ? Al4 Pd1 Al2 79.62(2) 4_655 . ? Al4 Pd1 Al2 79.62(2) 7_665 . ? Al6 Pd1 Al3 144.60(3) 6_656 . ? Al6 Pd1 Al3 83.30(3) 1_655 . ? Al1 Pd1 Al3 71.730(19) 7_655 . ? Al4 Pd1 Al3 145.39(3) 4_655 . ? Al4 Pd1 Al3 60.62(2) 7_665 . ? Al2 Pd1 Al3 66.18(3) . . ? Al6 Pd1 Al3 83.30(3) 6_656 6_556 ? Al6 Pd1 Al3 144.60(3) 1_655 6_556 ? Al1 Pd1 Al3 71.730(19) 7_655 6_556 ? Al4 Pd1 Al3 60.62(2) 4_655 6_556 ? Al4 Pd1 Al3 145.39(3) 7_665 6_556 ? Al2 Pd1 Al3 66.18(3) . 6_556 ? Al3 Pd1 Al3 107.13(3) . 6_556 ? Al6 Pd1 Al5 73.15(3) 6_656 7_665 ? Al6 Pd1 Al5 73.15(3) 1_655 7_665 ? Al1 Pd1 Al5 147.20(4) 7_655 7_665 ? Al4 Pd1 Al5 62.02(2) 4_655 7_665 ? Al4 Pd1 Al5 62.02(2) 7_665 7_665 ? Al2 Pd1 Al5 107.51(4) . 7_665 ? Al3 Pd1 Al5 122.463(10) . 7_665 ? Al3 Pd1 Al5 122.463(10) 6_556 7_665 ? Al6 Pd1 Mo1 115.57(2) 6_656 7_665 ? Al6 Pd1 Mo1 115.57(2) 1_655 7_665 ? Al1 Pd1 Mo1 160.01(3) 7_655 7_665 ? Al4 Pd1 Mo1 56.50(2) 4_655 7_665 ? Al4 Pd1 Mo1 56.50(2) 7_665 7_665 ? Al2 Pd1 Mo1 54.71(3) . 7_665 ? Al3 Pd1 Mo1 97.016(17) . 7_665 ? Al3 Pd1 Mo1 97.016(17) 6_556 7_665 ? Al5 Pd1 Mo1 52.79(3) 7_665 7_665 ? Al6 Pd1 Mo1 121.34(2) 6_656 . ? Al6 Pd1 Mo1 121.34(2) 1_655 . ? Al1 Pd1 Mo1 51.61(3) 7_655 . ? Al4 Pd1 Mo1 109.60(2) 4_655 . ? Al4 Pd1 Mo1 109.60(2) 7_665 . ? Al2 Pd1 Mo1 53.68(3) . . ? Al3 Pd1 Mo1 53.841(12) . . ? Al3 Pd1 Mo1 53.841(12) 6_556 . ? Al5 Pd1 Mo1 161.19(3) 7_665 . ? Mo1 Pd1 Mo1 108.397(9) 7_665 . ? Al6 Pd2 Al6 73.19(4) 3 . ? Al6 Pd2 Al4 132.46(3) 3 3 ? Al6 Pd2 Al4 68.78(3) . 3 ? Al6 Pd2 Al4 68.78(3) 3 . ? Al6 Pd2 Al4 132.46(3) . . ? Al4 Pd2 Al4 157.51(4) 3 . ? Al6 Pd2 Al5 77.84(3) 3 3 ? Al6 Pd2 Al5 74.21(3) . 3 ? Al4 Pd2 Al5 65.30(3) 3 3 ? Al4 Pd2 Al5 122.35(3) . 3 ? Al6 Pd2 Al5 74.21(3) 3 . ? Al6 Pd2 Al5 77.84(3) . . ? Al4 Pd2 Al5 122.35(3) 3 . ? Al4 Pd2 Al5 65.30(3) . . ? Al5 Pd2 Al5 145.01(5) 3 . ? Al6 Pd2 Al2 139.61(3) 3 . ? Al6 Pd2 Al2 82.66(3) . . ? Al4 Pd2 Al2 61.13(3) 3 . ? Al4 Pd2 Al2 109.20(3) . . ? Al5 Pd2 Al2 126.23(4) 3 . ? Al5 Pd2 Al2 69.29(3) . . ? Al6 Pd2 Al2 82.66(3) 3 3 ? Al6 Pd2 Al2 139.61(3) . 3 ? Al4 Pd2 Al2 109.20(3) 3 3 ? Al4 Pd2 Al2 61.13(3) . 3 ? Al5 Pd2 Al2 69.29(3) 3 3 ? Al5 Pd2 Al2 126.23(4) . 3 ? Al2 Pd2 Al2 133.50(5) . 3 ? Al6 Pd2 Al3 143.41(2) 3 . ? Al6 Pd2 Al3 143.41(2) . . ? Al4 Pd2 Al3 78.757(19) 3 . ? Al4 Pd2 Al3 78.757(19) . . ? Al5 Pd2 Al3 107.50(3) 3 . ? Al5 Pd2 Al3 107.50(3) . . ? Al2 Pd2 Al3 66.75(3) . . ? Al2 Pd2 Al3 66.75(3) 3 . ? Al6 Pd2 Mo1 114.58(2) 3 . ? Al6 Pd2 Mo1 121.98(2) . . ? Al4 Pd2 Mo1 109.38(2) 3 . ? Al4 Pd2 Mo1 55.84(2) . . ? Al5 Pd2 Mo1 161.14(3) 3 . ? Al5 Pd2 Mo1 53.69(3) . . ? Al2 Pd2 Mo1 53.72(3) . . ? Al2 Pd2 Mo1 97.29(2) 3 . ? Al3 Pd2 Mo1 53.922(6) . . ? Al6 Pd2 Mo1 121.98(2) 3 3 ? Al6 Pd2 Mo1 114.58(2) . 3 ? Al4 Pd2 Mo1 55.84(2) 3 3 ? Al4 Pd2 Mo1 109.38(2) . 3 ? Al5 Pd2 Mo1 53.69(3) 3 3 ? Al5 Pd2 Mo1 161.14(3) . 3 ? Al2 Pd2 Mo1 97.29(2) . 3 ? Al2 Pd2 Mo1 53.72(3) 3 3 ? Al3 Pd2 Mo1 53.922(6) . 3 ? Mo1 Pd2 Mo1 107.845(13) . 3 ? Mo1 Al1 Al7 76.69(4) 7_665 7_665 ? Mo1 Al1 Pd1 76.69(4) 7_665 7_665 ? Al7 Al1 Pd1 0.000(4) 7_665 7_665 ? Mo1 Al1 Al5 177.55(7) 7_665 7_565 ? Al7 Al1 Al5 105.76(6) 7_665 7_565 ? Pd1 Al1 Al5 105.76(6) 7_665 7_565 ? Mo1 Al1 Al4 62.53(3) 7_665 3 ? Al7 Al1 Al4 108.83(4) 7_665 3 ? Pd1 Al1 Al4 108.83(4) 7_665 3 ? Al5 Al1 Al4 116.23(4) 7_565 3 ? Mo1 Al1 Al4 62.53(3) 7_665 8_566 ? Al7 Al1 Al4 108.83(4) 7_665 8_566 ? Pd1 Al1 Al4 108.83(4) 7_665 8_566 ? Al5 Al1 Al4 116.23(4) 7_565 8_566 ? Al4 Al1 Al4 100.71(5) 3 8_566 ? Pd2 Al2 Pd2 108.97(4) . 6_556 ? Pd2 Al2 Al4 144.68(6) . 8_566 ? Pd2 Al2 Al4 58.28(2) 6_556 8_566 ? Pd2 Al2 Al4 58.28(2) . 3 ? Pd2 Al2 Al4 144.68(6) 6_556 3 ? Al4 Al2 Al4 111.00(6) 8_566 3 ? Pd2 Al2 Pd1 113.88(3) . . ? Pd2 Al2 Pd1 113.88(3) 6_556 . ? Al4 Al2 Pd1 100.99(4) 8_566 . ? Al4 Al2 Pd1 100.99(4) 3 . ? Pd2 Al2 Mo1 73.62(3) . . ? Pd2 Al2 Mo1 73.62(3) 6_556 . ? Al4 Al2 Mo1 124.45(3) 8_566 . ? Al4 Al2 Mo1 124.45(3) 3 . ? Pd1 Al2 Mo1 73.21(3) . . ? Pd2 Al2 Mo1 121.49(3) . 7_665 ? Pd2 Al2 Mo1 121.49(3) 6_556 7_665 ? Al4 Al2 Mo1 63.46(3) 8_566 7_665 ? Al4 Al2 Mo1 63.46(3) 3 7_665 ? Pd1 Al2 Mo1 71.75(3) . 7_665 ? Mo1 Al2 Mo1 144.97(5) . 7_665 ? Pd2 Al2 Al3 130.87(5) . 6_556 ? Pd2 Al2 Al3 56.75(2) 6_556 6_556 ? Al4 Al2 Al3 73.01(2) 8_566 6_556 ? Al4 Al2 Al3 157.75(5) 3 6_556 ? Pd1 Al2 Al3 57.15(3) . 6_556 ? Mo1 Al2 Al3 57.35(2) . 6_556 ? Mo1 Al2 Al3 102.12(3) 7_665 6_556 ? Pd2 Al2 Al3 56.75(2) . . ? Pd2 Al2 Al3 130.87(5) 6_556 . ? Al4 Al2 Al3 157.75(5) 8_566 . ? Al4 Al2 Al3 73.01(2) 3 . ? Pd1 Al2 Al3 57.15(3) . . ? Mo1 Al2 Al3 57.35(2) . . ? Mo1 Al2 Al3 102.12(3) 7_665 . ? Al3 Al2 Al3 95.26(4) 6_556 . ? Pd2 Al2 Al5 54.65(2) . . ? Pd2 Al2 Al5 54.65(2) 6_556 . ? Al4 Al2 Al5 107.07(4) 8_566 . ? Al4 Al2 Al5 107.07(4) 3 . ? Pd1 Al2 Al5 129.12(5) . . ? Mo1 Al2 Al5 55.91(3) . . ? Mo1 Al2 Al5 159.13(6) 7_665 . ? Al3 Al2 Al5 91.84(4) 6_556 . ? Al3 Al2 Al5 91.84(4) . . ? Pd2 Al3 Al4 101.99(3) . 7_665 ? Pd2 Al3 Al4 101.99(3) . 5_655 ? Al4 Al3 Al4 156.03(6) 7_665 5_655 ? Pd2 Al3 Pd1 113.16(2) . . ? Al4 Al3 Pd1 58.10(2) 7_665 . ? Al4 Al3 Pd1 111.42(3) 5_655 . ? Pd2 Al3 Al7 113.16(2) . 3 ? Al4 Al3 Al7 111.42(3) 7_665 3 ? Al4 Al3 Al7 58.10(2) 5_655 3 ? Pd1 Al3 Al7 133.68(5) . 3 ? Pd2 Al3 Pd1 113.16(2) . 3 ? Al4 Al3 Pd1 111.42(3) 7_665 3 ? Al4 Al3 Pd1 58.10(2) 5_655 3 ? Pd1 Al3 Pd1 133.68(5) . 3 ? Al7 Al3 Pd1 0.000(12) 3 3 ? Pd2 Al3 Mo1 73.32(2) . 3 ? Al4 Al3 Mo1 63.58(2) 7_665 3 ? Al4 Al3 Mo1 124.35(2) 5_655 3 ? Pd1 Al3 Mo1 121.419(10) . 3 ? Al7 Al3 Mo1 72.809(8) 3 3 ? Pd1 Al3 Mo1 72.809(8) 3 3 ? Pd2 Al3 Mo1 73.32(2) . . ? Al4 Al3 Mo1 124.35(2) 7_665 . ? Al4 Al3 Mo1 63.58(2) 5_655 . ? Pd1 Al3 Mo1 72.809(8) . . ? Al7 Al3 Mo1 121.419(10) 3 . ? Pd1 Al3 Mo1 121.419(10) 3 . ? Mo1 Al3 Mo1 146.65(5) 3 . ? Pd2 Al3 Al2 56.50(3) . 3 ? Al4 Al3 Al2 120.24(3) 7_665 3 ? Al4 Al3 Al2 74.07(3) 5_655 3 ? Pd1 Al3 Al2 169.60(5) . 3 ? Al7 Al3 Al2 56.67(2) 3 3 ? Pd1 Al3 Al2 56.67(2) 3 3 ? Mo1 Al3 Al2 56.98(3) 3 3 ? Mo1 Al3 Al2 103.19(3) . 3 ? Pd2 Al3 Al2 56.50(3) . . ? Al4 Al3 Al2 74.07(3) 7_665 . ? Al4 Al3 Al2 120.24(3) 5_655 . ? Pd1 Al3 Al2 56.67(2) . . ? Al7 Al3 Al2 169.60(5) 3 . ? Pd1 Al3 Al2 169.60(5) 3 . ? Mo1 Al3 Al2 103.19(3) 3 . ? Mo1 Al3 Al2 56.98(3) . . ? Al2 Al3 Al2 113.01(5) 3 . ? Pd2 Al4 Al7 120.55(3) . 7_655 ? Pd2 Al4 Pd1 120.55(3) . 7_655 ? Al7 Al4 Pd1 0.000(17) 7_655 7_655 ? Pd2 Al4 Al3 178.16(4) . 5_655 ? Al7 Al4 Al3 61.29(2) 7_655 5_655 ? Pd1 Al4 Al3 61.29(2) 7_655 5_655 ? Pd2 Al4 Al2 60.59(3) . 3 ? Al7 Al4 Al2 178.85(5) 7_655 3 ? Pd1 Al4 Al2 178.85(5) 7_655 3 ? Al3 Al4 Al2 117.58(4) 5_655 3 ? Pd2 Al4 Al4 102.64(5) . 5_655 ? Al7 Al4 Al4 101.69(5) 7_655 5_655 ? Pd1 Al4 Al4 101.69(5) 7_655 5_655 ? Al3 Al4 Al4 76.56(5) 5_655 5_655 ? Al2 Al4 Al4 77.68(5) 3 5_655 ? Pd2 Al4 Mo1 73.33(2) . . ? Al7 Al4 Mo1 71.93(2) 7_655 . ? Pd1 Al4 Mo1 71.93(2) 7_655 . ? Al3 Al4 Mo1 107.57(3) 5_655 . ? Al2 Al4 Mo1 108.51(4) 3 . ? Al4 Al4 Mo1 62.17(3) 5_655 . ? Pd2 Al4 Al5 57.65(3) . . ? Al7 Al4 Al5 63.09(3) 7_655 . ? Pd1 Al4 Al5 63.09(3) 7_655 . ? Al3 Al4 Al5 124.19(4) 5_655 . ? Al2 Al4 Al5 118.06(5) 3 . ? Al4 Al4 Al5 119.50(5) 5_655 . ? Mo1 Al4 Al5 57.42(3) . . ? Pd2 Al4 Mo1 119.36(3) . 5_655 ? Al7 Al4 Mo1 119.85(3) 7_655 5_655 ? Pd1 Al4 Mo1 119.85(3) 7_655 5_655 ? Al3 Al4 Mo1 58.80(2) 5_655 5_655 ? Al2 Al4 Mo1 59.01(3) 3 5_655 ? Al4 Al4 Mo1 59.86(3) 5_655 5_655 ? Mo1 Al4 Mo1 122.03(3) . 5_655 ? Al5 Al4 Mo1 176.97(5) . 5_655 ? Pd2 Al4 Al1 111.21(4) . 3 ? Al7 Al4 Al1 106.88(4) 7_655 3 ? Pd1 Al4 Al1 106.88(4) 7_655 3 ? Al3 Al4 Al1 67.81(4) 5_655 3 ? Al2 Al4 Al1 72.58(4) 3 3 ? Al4 Al4 Al1 113.63(5) 5_655 3 ? Mo1 Al4 Al1 174.80(4) . 3 ? Al5 Al4 Al1 126.87(4) . 3 ? Mo1 Al4 Al1 53.87(3) 5_655 3 ? Pd2 Al4 Al6 55.11(2) . 3 ? Al7 Al4 Al6 104.66(3) 7_655 3 ? Pd1 Al4 Al6 104.66(3) 7_655 3 ? Al3 Al4 Al6 125.09(4) 5_655 3 ? Al2 Al4 Al6 76.12(4) 3 3 ? Al4 Al4 Al6 151.95(6) 5_655 3 ? Mo1 Al4 Al6 117.83(4) . 3 ? Al5 Al4 Al6 66.11(3) . 3 ? Mo1 Al4 Al6 112.93(3) 5_655 3 ? Al1 Al4 Al6 67.35(4) 3 3 ? Pd2 Al4 Al6 104.41(3) . 7 ? Al7 Al4 Al6 54.48(2) 7_655 7 ? Pd1 Al4 Al6 54.48(2) 7_655 7 ? Al3 Al4 Al6 76.70(4) 5_655 7 ? Al2 Al4 Al6 125.80(4) 3 7 ? Al4 Al4 Al6 150.81(6) 5_655 7 ? Mo1 Al4 Al6 116.13(3) . 7 ? Al5 Al4 Al6 68.13(4) . 7 ? Mo1 Al4 Al6 113.97(4) 5_655 7 ? Al1 Al4 Al6 65.78(3) 3 7 ? Al6 Al4 Al6 56.91(3) 3 7 ? Al1 Al5 Pd2 107.94(4) 7 6_556 ? Al1 Al5 Pd2 107.94(4) 7 . ? Pd2 Al5 Pd2 111.80(5) 6_556 . ? Al1 Al5 Mo1 175.00(7) 7 . ? Pd2 Al5 Mo1 74.57(3) 6_556 . ? Pd2 Al5 Mo1 74.57(3) . . ? Al1 Al5 Al4 116.89(4) 7 . ? Pd2 Al5 Al4 135.10(5) 6_556 . ? Pd2 Al5 Al4 57.05(2) . . ? Mo1 Al5 Al4 60.55(3) . . ? Al1 Al5 Al4 116.89(4) 7 6_556 ? Pd2 Al5 Al4 57.05(2) 6_556 6_556 ? Pd2 Al5 Al4 135.10(5) . 6_556 ? Mo1 Al5 Al4 60.55(3) . 6_556 ? Al4 Al5 Al4 98.26(5) . 6_556 ? Al1 Al5 Al7 105.24(6) 7 7_655 ? Pd2 Al5 Al7 111.78(3) 6_556 7_655 ? Pd2 Al5 Al7 111.78(3) . 7_655 ? Mo1 Al5 Al7 69.76(3) . 7_655 ? Al4 Al5 Al7 54.89(3) . 7_655 ? Al4 Al5 Al7 54.89(3) 6_556 7_655 ? Al1 Al5 Pd1 105.24(6) 7 7_655 ? Pd2 Al5 Pd1 111.78(3) 6_556 7_655 ? Pd2 Al5 Pd1 111.78(3) . 7_655 ? Mo1 Al5 Pd1 69.76(3) . 7_655 ? Al4 Al5 Pd1 54.89(3) . 7_655 ? Al4 Al5 Pd1 54.89(3) 6_556 7_655 ? Al7 Al5 Pd1 0.000(3) 7_655 7_655 ? Al1 Al5 Al2 128.65(7) 7 . ? Pd2 Al5 Al2 56.07(2) 6_556 . ? Pd2 Al5 Al2 56.07(2) . . ? Mo1 Al5 Al2 56.34(3) . . ? Al4 Al5 Al2 94.98(4) . . ? Al4 Al5 Al2 94.98(4) 6_556 . ? Al7 Al5 Al2 126.11(5) 7_655 . ? Pd1 Al5 Al2 126.11(5) 7_655 . ? Al7 Al6 Pd1 0.000(16) 1_455 1_455 ? Al7 Al6 Pd2 140.51(4) 1_455 . ? Pd1 Al6 Pd2 140.51(4) 1_455 . ? Al7 Al6 Al6 109.87(4) 1_455 5_565 ? Pd1 Al6 Al6 109.87(4) 1_455 5_565 ? Pd2 Al6 Al6 109.59(4) . 5_565 ? Al7 Al6 Al4 152.38(4) 1_455 3 ? Pd1 Al6 Al4 152.38(4) 1_455 3 ? Pd2 Al6 Al4 56.11(2) . 3 ? Al6 Al6 Al4 61.90(4) 5_565 3 ? Al7 Al6 Al4 56.13(2) 1_455 7_565 ? Pd1 Al6 Al4 56.13(2) 1_455 7_565 ? Pd2 Al6 Al4 150.72(4) . 7_565 ? Al6 Al6 Al4 61.19(3) 5_565 7_565 ? Al4 Al6 Al4 123.09(3) 3 7_565 ? Al7 Al6 Al6 54.61(2) 1_455 6_556 ? Pd1 Al6 Al6 54.61(2) 1_455 6_556 ? Pd2 Al6 Al6 105.51(2) . 6_556 ? Al6 Al6 Al6 119.49(4) 5_565 6_556 ? Al4 Al6 Al6 104.39(2) 3 6_556 ? Al4 Al6 Al6 102.74(2) 7_565 6_556 ? _diffrn_measured_fraction_theta_max 0.966 _diffrn_reflns_theta_full 36.03 _diffrn_measured_fraction_theta_full 0.966 _refine_diff_density_max 2.409 _refine_diff_density_min -1.654 _refine_diff_density_rms 0.352