data_cz104 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Br7 La8 Ni4' _chemical_formula_weight 1905.49 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' 'Br' 'Br' -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'La' 'La' -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 2/m' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, -y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z' _cell_length_a 29.528(4) _cell_length_b 4.0249(6) _cell_length_c 8.7077(13) _cell_angle_alpha 90.00 _cell_angle_beta 94.515(2) _cell_angle_gamma 90.00 _cell_volume 1031.7(3) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 190 _cell_measurement_theta_min -14 _cell_measurement_theta_max 14 _exptl_crystal_description needle _exptl_crystal_colour 'metallic black' _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.04 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 6.134 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1626 _exptl_absorpt_coefficient_mu 33.243 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.0662 _exptl_absorpt_correction_T_max 0.2640 _exptl_absorpt_process_details 'SADABS (Sheldrick, 2000)' _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 'Siemens SMART CCD PLATFORM' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean 0 _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 3677 _diffrn_reflns_av_R_equivalents 0.0281 _diffrn_reflns_av_sigmaI/netI 0.0281 _diffrn_reflns_limit_h_min -34 _diffrn_reflns_limit_h_max 33 _diffrn_reflns_limit_k_min -4 _diffrn_reflns_limit_k_max 4 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_theta_min 1.38 _diffrn_reflns_theta_max 24.98 _reflns_number_total 1049 _reflns_number_gt 992 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART (Bruker, 1999)' _computing_cell_refinement 'SMART and SAINT (Bruker, 1999)' _computing_data_reduction 'SAINT (Bruker, 1999)' _computing_structure_solution 'SIR97 (Altomare et al., 1999)' _computing_structure_refinement 'SHELXTL (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXTL (Sheldrick, 1997)' _computing_publication_material 'SHELXTL (Sheldrick, 1997)' _publ_section_references ;Altomare, A., Burla, M.C., Camalli, M., Cascarano, G.L., Giacovazzo, C., Guagliardi, A., Moliterni, A.G.G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119. Bruker (1999). SMART and SAINT. Data Collection and Reduction Software for the SMART System. Bruker Analytical X-ray Instruments Inc., Madison, Wisconsin, USA. Flack, H. D. (1983). Acta Cryst. A39, 876-881. Sheldrick, G.M. (2000). SADABS. Program for Empirical Absorption Correction of Area Detector Data. University of G\"ottingen, Germany. Sheldrick, G.M. (1997). SHELXTL. Version 5.1. Bruker Analytical X-Ray Systems, Madison, Wisconsin, USA. ; _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^)+(0.0547P)^2^+15.8596P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 1049 _refine_ls_number_parameters 59 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0339 _refine_ls_R_factor_gt 0.0310 _refine_ls_wR_factor_ref 0.0990 _refine_ls_wR_factor_gt 0.0975 _refine_ls_goodness_of_fit_ref 1.262 _refine_ls_restrained_S_all 1.262 _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 La1 La 0.01255(3) 0.0000 0.80659(8) 0.0160(3) Uani 1 2 d S . . La2 La 0.12753(3) 0.5000 -0.06445(9) 0.0165(3) Uani 1 2 d S . . La3 La 0.21044(3) 0.0000 0.22607(8) 0.0166(3) Uani 1 2 d S . . La4 La 0.09844(3) 0.5000 0.35326(9) 0.0172(3) Uani 1 2 d S . . Br1 Br 0.21257(5) 0.0000 -0.13312(15) 0.0187(4) Uani 1 2 d S . . Br2 Br 0.10372(5) 0.0000 0.64504(14) 0.0190(3) Uani 1 2 d S . . Br3 Br 0.0000 0.5000 0.5000 0.0200(5) Uani 1 4 d S . . Br4 Br 0.19885(5) 0.5000 0.49017(15) 0.0193(3) Uani 1 2 d S . . Ni1 Ni 0.09880(7) 0.0000 0.1327(2) 0.0192(4) Uani 1 2 d S . . Ni2 Ni 0.04107(6) 0.5000 0.0535(2) 0.0193(4) Uani 1 2 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 La1 0.0193(5) 0.0169(5) 0.0116(4) 0.000 -0.0003(3) 0.000 La2 0.0186(5) 0.0170(5) 0.0133(4) 0.000 -0.0022(3) 0.000 La3 0.0211(5) 0.0149(4) 0.0138(4) 0.000 0.0018(3) 0.000 La4 0.0187(5) 0.0191(5) 0.0135(4) 0.000 -0.0007(3) 0.000 Br1 0.0204(8) 0.0199(7) 0.0154(6) 0.000 -0.0012(5) 0.000 Br2 0.0219(8) 0.0217(7) 0.0129(7) 0.000 -0.0006(5) 0.000 Br3 0.0233(11) 0.0220(10) 0.0143(9) 0.000 -0.0004(8) 0.000 Br4 0.0204(8) 0.0209(7) 0.0162(7) 0.000 -0.0017(5) 0.000 Ni1 0.0277(11) 0.0151(9) 0.0144(8) 0.000 -0.0003(7) 0.000 Ni2 0.0172(10) 0.0250(10) 0.0153(9) 0.000 -0.0018(7) 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 La1 Ni2 2.8890(15) 5_556 ? La1 Ni2 2.8890(15) 5_566 ? La1 Ni2 3.0158(14) 1_556 ? La1 Ni2 3.0158(14) 1_546 ? La1 Br2 3.1341(16) . ? La1 Br3 3.3405(7) . ? La1 Br3 3.3405(7) 1_545 ? La1 Ni1 3.371(2) 5_556 ? La1 La1 3.5054(16) 5_557 ? La1 La4 4.0012(10) 5_556 ? La1 La4 4.0012(10) 5_566 ? La1 La1 4.0249(6) 1_545 ? La2 Ni1 2.8187(14) 1_565 ? La2 Ni1 2.8187(14) . ? La2 Ni2 2.826(2) . ? La2 Br2 3.2656(12) 1_554 ? La2 Br2 3.2656(12) 1_564 ? La2 Br1 3.3089(13) 1_565 ? La2 Br1 3.3089(13) . ? La2 La4 3.8025(12) . ? La2 La3 3.9328(10) 1_565 ? La2 La3 3.9329(10) . ? La2 La2 4.0249(6) 1_565 ? La2 La2 4.0249(6) 1_545 ? La3 Br4 3.0952(12) . ? La3 Br4 3.0952(12) 1_545 ? La3 Br1 3.1332(16) . ? La3 Br1 3.1878(13) 7 ? La3 Br1 3.1878(13) 7_545 ? La3 Ni1 3.333(2) . ? La3 Br4 3.4981(16) 7_556 ? La3 La2 3.9329(10) 1_545 ? La3 La3 4.0249(6) 1_545 ? La3 La3 4.0249(6) 1_565 ? La3 La4 4.0976(11) 1_545 ? La4 Ni1 2.7826(13) . ? La4 Ni1 2.7826(13) 1_565 ? La4 Ni2 2.998(2) . ? La4 Br4 3.1073(16) . ? La4 Br2 3.2353(12) 1_565 ? La4 Br2 3.2353(12) . ? La4 Br3 3.2659(9) . ? La4 La1 4.0012(10) 5_556 ? La4 La1 4.0012(10) 5_566 ? La4 La4 4.0249(6) 1_565 ? La4 La4 4.0249(6) 1_545 ? Br1 La3 3.1878(13) 7 ? Br1 La3 3.1878(13) 7_545 ? Br1 La2 3.3090(13) 1_545 ? Br2 La4 3.2354(12) 1_545 ? Br2 La2 3.2655(12) 1_556 ? Br2 La2 3.2655(12) 1_546 ? Br3 La4 3.2660(9) 5_566 ? Br3 La1 3.3405(7) 5_556 ? Br3 La1 3.3405(7) 5_566 ? Br3 La1 3.3405(7) 1_565 ? Br4 La3 3.0952(12) 1_565 ? Br4 La3 3.4982(16) 7_556 ? Ni1 Ni2 2.6918(17) 1_545 ? Ni1 Ni2 2.6919(17) . ? Ni1 La4 2.7826(13) 1_545 ? Ni1 La2 2.8187(14) 1_545 ? Ni1 La1 3.371(2) 5_556 ? Ni2 Ni2 2.529(4) 5_565 ? Ni2 Ni1 2.6919(17) 1_565 ? Ni2 La1 2.8890(14) 5_556 ? Ni2 La1 2.8890(14) 5_566 ? Ni2 La1 3.0158(14) 1_554 ? Ni2 La1 3.0158(14) 1_564 ? 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 Ni2 La1 Ni2 88.31(6) 5_556 5_566 ? Ni2 La1 Ni2 107.20(3) 5_556 1_556 ? Ni2 La1 Ni2 50.66(7) 5_566 1_556 ? Ni2 La1 Ni2 50.66(7) 5_556 1_546 ? Ni2 La1 Ni2 107.20(3) 5_566 1_546 ? Ni2 La1 Ni2 83.72(5) 1_556 1_546 ? Ni2 La1 Br2 135.07(3) 5_556 . ? Ni2 La1 Br2 135.07(3) 5_566 . ? Ni2 La1 Br2 96.79(4) 1_556 . ? Ni2 La1 Br2 96.79(4) 1_546 . ? Ni2 La1 Br3 136.62(5) 5_556 . ? Ni2 La1 Br3 83.54(3) 5_566 . ? Ni2 La1 Br3 100.07(3) 1_556 . ? Ni2 La1 Br3 168.19(4) 1_546 . ? Br2 La1 Br3 71.73(2) . . ? Ni2 La1 Br3 83.54(3) 5_556 1_545 ? Ni2 La1 Br3 136.62(5) 5_566 1_545 ? Ni2 La1 Br3 168.19(4) 1_556 1_545 ? Ni2 La1 Br3 100.07(3) 1_546 1_545 ? Br2 La1 Br3 71.73(2) . 1_545 ? Br3 La1 Br3 74.090(19) . 1_545 ? Ni2 La1 Ni1 50.21(4) 5_556 5_556 ? Ni2 La1 Ni1 50.21(4) 5_566 5_556 ? Ni2 La1 Ni1 96.28(5) 1_556 5_556 ? Ni2 La1 Ni1 96.28(5) 1_546 5_556 ? Br2 La1 Ni1 162.42(5) . 5_556 ? Br3 La1 Ni1 94.43(3) . 5_556 ? Br3 La1 Ni1 94.43(3) 1_545 5_556 ? Ni2 La1 La1 55.27(3) 5_556 5_557 ? Ni2 La1 La1 55.27(3) 5_566 5_557 ? Ni2 La1 La1 51.93(3) 1_556 5_557 ? Ni2 La1 La1 51.93(3) 1_546 5_557 ? Br2 La1 La1 133.26(4) . 5_557 ? Br3 La1 La1 138.540(19) . 5_557 ? Br3 La1 La1 138.540(19) 1_545 5_557 ? Ni1 La1 La1 64.32(4) 5_556 5_557 ? Ni2 La1 La4 48.34(4) 5_556 5_556 ? Ni2 La1 La4 92.06(4) 5_566 5_556 ? Ni2 La1 La4 139.36(4) 1_556 5_556 ? Ni2 La1 La4 95.02(3) 1_546 5_556 ? Br2 La1 La4 123.56(3) . 5_556 ? Br3 La1 La4 89.35(2) . 5_556 ? Br3 La1 La4 51.881(14) 1_545 5_556 ? Ni1 La1 La4 43.31(2) 5_556 5_556 ? La1 La1 La4 96.02(3) 5_557 5_556 ? Ni2 La1 La4 92.06(4) 5_556 5_566 ? Ni2 La1 La4 48.34(4) 5_566 5_566 ? Ni2 La1 La4 95.02(3) 1_556 5_566 ? Ni2 La1 La4 139.36(5) 1_546 5_566 ? Br2 La1 La4 123.56(3) . 5_566 ? Br3 La1 La4 51.881(14) . 5_566 ? Br3 La1 La4 89.35(2) 1_545 5_566 ? Ni1 La1 La4 43.31(2) 5_556 5_566 ? La1 La1 La4 96.02(3) 5_557 5_566 ? La4 La1 La4 60.393(18) 5_556 5_566 ? Ni2 La1 La1 45.85(3) 5_556 1_545 ? Ni2 La1 La1 134.16(3) 5_566 1_545 ? Ni2 La1 La1 131.86(2) 1_556 1_545 ? Ni2 La1 La1 48.14(2) 1_546 1_545 ? Br2 La1 La1 90.0 . 1_545 ? Br3 La1 La1 127.046(9) . 1_545 ? Br3 La1 La1 52.955(10) 1_545 1_545 ? Ni1 La1 La1 90.0 5_556 1_545 ? La1 La1 La1 90.0 5_557 1_545 ? La4 La1 La1 59.805(9) 5_556 1_545 ? La4 La1 La1 120.198(9) 5_566 1_545 ? Ni1 La2 Ni1 91.12(6) 1_565 . ? Ni1 La2 Ni2 56.97(4) 1_565 . ? Ni1 La2 Ni2 56.97(4) . . ? Ni1 La2 Br2 148.75(5) 1_565 1_554 ? Ni1 La2 Br2 88.56(4) . 1_554 ? Ni2 La2 Br2 97.80(4) . 1_554 ? Ni1 La2 Br2 88.56(4) 1_565 1_564 ? Ni1 La2 Br2 148.75(5) . 1_564 ? Ni2 La2 Br2 97.80(4) . 1_564 ? Br2 La2 Br2 76.09(3) 1_554 1_564 ? Ni1 La2 Br1 86.84(4) 1_565 1_565 ? Ni1 La2 Br1 144.42(5) . 1_565 ? Ni2 La2 Br1 141.798(19) . 1_565 ? Br2 La2 Br1 110.80(4) 1_554 1_565 ? Br2 La2 Br1 66.76(3) 1_564 1_565 ? Ni1 La2 Br1 144.42(5) 1_565 . ? Ni1 La2 Br1 86.84(4) . . ? Ni2 La2 Br1 141.799(19) . . ? Br2 La2 Br1 66.76(3) 1_554 . ? Br2 La2 Br1 110.80(4) 1_564 . ? Br1 La2 Br1 74.92(3) 1_565 . ? Ni1 La2 La4 46.85(3) 1_565 . ? Ni1 La2 La4 46.85(3) . . ? Ni2 La2 La4 51.23(4) . . ? Br2 La2 La4 133.62(3) 1_554 . ? Br2 La2 La4 133.62(3) 1_564 . ? Br1 La2 La4 113.87(3) 1_565 . ? Br1 La2 La4 113.87(3) . . ? Ni1 La2 La3 56.29(4) 1_565 1_565 ? Ni1 La2 La3 100.11(4) . 1_565 ? Ni2 La2 La3 107.50(4) . 1_565 ? Br2 La2 La3 154.00(4) 1_554 1_565 ? Br2 La2 La3 105.55(2) 1_564 1_565 ? Br1 La2 La3 50.37(3) 1_565 1_565 ? Br1 La2 La3 89.12(3) . 1_565 ? La4 La2 La3 63.95(2) . 1_565 ? Ni1 La2 La3 100.12(4) 1_565 . ? Ni1 La2 La3 56.29(4) . . ? Ni2 La2 La3 107.50(4) . . ? Br2 La2 La3 105.55(2) 1_554 . ? Br2 La2 La3 154.00(4) 1_564 . ? Br1 La2 La3 89.12(3) 1_565 . ? Br1 La2 La3 50.37(3) . . ? La4 La2 La3 63.95(2) . . ? La3 La2 La3 61.554(19) 1_565 . ? Ni1 La2 La2 44.44(3) 1_565 1_565 ? Ni1 La2 La2 135.56(3) . 1_565 ? Ni2 La2 La2 90.0 . 1_565 ? Br2 La2 La2 128.043(17) 1_554 1_565 ? Br2 La2 La2 51.956(17) 1_564 1_565 ? Br1 La2 La2 52.541(17) 1_565 1_565 ? Br1 La2 La2 127.459(17) . 1_565 ? La4 La2 La2 90.0 . 1_565 ? La3 La2 La2 59.223(9) 1_565 1_565 ? La3 La2 La2 120.777(10) . 1_565 ? Ni1 La2 La2 135.56(3) 1_565 1_545 ? Ni1 La2 La2 44.44(3) . 1_545 ? Ni2 La2 La2 90.0 . 1_545 ? Br2 La2 La2 51.956(17) 1_554 1_545 ? Br2 La2 La2 128.043(17) 1_564 1_545 ? Br1 La2 La2 127.460(17) 1_565 1_545 ? Br1 La2 La2 52.542(17) . 1_545 ? La4 La2 La2 90.0 . 1_545 ? La3 La2 La2 120.778(10) 1_565 1_545 ? La3 La2 La2 59.224(9) . 1_545 ? La2 La2 La2 180.0 1_565 1_545 ? Br4 La3 Br4 81.11(4) . 1_545 ? Br4 La3 Br1 138.92(2) . . ? Br4 La3 Br1 138.92(2) 1_545 . ? Br4 La3 Br1 84.32(3) . 7 ? Br4 La3 Br1 136.21(4) 1_545 7 ? Br1 La3 Br1 71.08(4) . 7 ? Br4 La3 Br1 136.21(4) . 7_545 ? Br4 La3 Br1 84.32(3) 1_545 7_545 ? Br1 La3 Br1 71.08(4) . 7_545 ? Br1 La3 Br1 78.29(4) 7 7_545 ? Br4 La3 Ni1 90.93(4) . . ? Br4 La3 Ni1 90.93(4) 1_545 . ? Br1 La3 Ni1 81.58(4) . . ? Br1 La3 Ni1 130.50(3) 7 . ? Br1 La3 Ni1 130.50(3) 7_545 . ? Br4 La3 Br4 66.33(4) . 7_556 ? Br4 La3 Br4 66.33(4) 1_545 7_556 ? Br1 La3 Br4 129.10(4) . 7_556 ? Br1 La3 Br4 69.98(3) 7 7_556 ? Br1 La3 Br4 69.98(3) 7_545 7_556 ? Ni1 La3 Br4 149.32(4) . 7_556 ? Br4 La3 La2 92.61(3) . . ? Br4 La3 La2 135.31(4) 1_545 . ? Br1 La3 La2 54.43(3) . . ? Br1 La3 La2 86.21(3) 7 . ? Br1 La3 La2 125.45(3) 7_545 . ? Ni1 La3 La2 44.71(2) . . ? Br4 La3 La2 149.043(11) 7_556 . ? Br4 La3 La2 135.31(4) . 1_545 ? Br4 La3 La2 92.61(3) 1_545 1_545 ? Br1 La3 La2 54.43(3) . 1_545 ? Br1 La3 La2 125.45(3) 7 1_545 ? Br1 La3 La2 86.21(3) 7_545 1_545 ? Ni1 La3 La2 44.71(2) . 1_545 ? Br4 La3 La2 149.043(10) 7_556 1_545 ? La2 La3 La2 61.554(19) . 1_545 ? Br4 La3 La3 130.556(19) . 1_545 ? Br4 La3 La3 49.444(19) 1_545 1_545 ? Br1 La3 La3 90.0 . 1_545 ? Br1 La3 La3 129.147(19) 7 1_545 ? Br1 La3 La3 50.855(19) 7_545 1_545 ? Ni1 La3 La3 90.0 . 1_545 ? Br4 La3 La3 90.0 7_556 1_545 ? La2 La3 La3 120.776(10) . 1_545 ? La2 La3 La3 59.223(10) 1_545 1_545 ? Br4 La3 La3 49.444(19) . 1_565 ? Br4 La3 La3 130.556(19) 1_545 1_565 ? Br1 La3 La3 90.0 . 1_565 ? Br1 La3 La3 50.855(19) 7 1_565 ? Br1 La3 La3 129.147(19) 7_545 1_565 ? Ni1 La3 La3 90.0 . 1_565 ? Br4 La3 La3 90.0 7_556 1_565 ? La2 La3 La3 59.222(10) . 1_565 ? La2 La3 La3 120.776(10) 1_545 1_565 ? La3 La3 La3 179.998(1) 1_545 1_565 ? Br4 La3 La4 88.83(3) . 1_545 ? Br4 La3 La4 48.78(3) 1_545 1_545 ? Br1 La3 La4 110.48(3) . 1_545 ? Br1 La3 La4 170.23(2) 7 1_545 ? Br1 La3 La4 111.43(2) 7_545 1_545 ? Ni1 La3 La4 42.44(2) . 1_545 ? Br4 La3 La4 113.48(3) 7_556 1_545 ? La2 La3 La4 87.16(2) . 1_545 ? La2 La3 La4 56.479(19) 1_545 1_545 ? La3 La3 La4 60.585(9) 1_545 1_545 ? La3 La3 La4 119.414(9) 1_565 1_545 ? Ni1 La4 Ni1 92.64(6) . 1_565 ? Ni1 La4 Ni2 55.36(4) . . ? Ni1 La4 Ni2 55.36(4) 1_565 . ? Ni1 La4 Br4 102.09(5) . . ? Ni1 La4 Br4 102.09(5) 1_565 . ? Ni2 La4 Br4 142.25(5) . . ? Ni1 La4 Br2 171.65(4) . 1_565 ? Ni1 La4 Br2 95.14(3) 1_565 1_565 ? Ni2 La4 Br2 132.28(3) . 1_565 ? Br4 La4 Br2 73.33(4) . 1_565 ? Ni1 La4 Br2 95.14(3) . . ? Ni1 La4 Br2 171.65(4) 1_565 . ? Ni2 La4 Br2 132.29(3) . . ? Br4 La4 Br2 73.33(4) . . ? Br2 La4 Br2 76.93(3) 1_565 . ? Ni1 La4 Br3 108.78(4) . . ? Ni1 La4 Br3 108.78(4) 1_565 . ? Ni2 La4 Br3 83.19(4) . . ? Br4 La4 Br3 134.55(4) . . ? Br2 La4 Br3 71.46(3) 1_565 . ? Br2 La4 Br3 71.46(3) . . ? Ni1 La4 La2 47.65(3) . . ? Ni1 La4 La2 47.65(3) 1_565 . ? Ni2 La4 La2 47.30(4) . . ? Br4 La4 La2 94.96(3) . . ? Br2 La4 La2 138.65(2) 1_565 . ? Br2 La4 La2 138.64(2) . . ? Br3 La4 La2 130.49(3) . . ? Ni1 La4 La1 56.20(4) . 5_556 ? Ni1 La4 La1 99.86(4) 1_565 5_556 ? Ni2 La4 La1 46.05(3) . 5_556 ? Br4 La4 La1 149.783(9) . 5_556 ? Br2 La4 La1 125.00(3) 1_565 5_556 ? Br2 La4 La1 87.01(3) . 5_556 ? Br3 La4 La1 53.578(17) . 5_556 ? La2 La4 La1 84.71(2) . 5_556 ? Ni1 La4 La1 99.86(4) . 5_566 ? Ni1 La4 La1 56.20(4) 1_565 5_566 ? Ni2 La4 La1 46.05(3) . 5_566 ? Br4 La4 La1 149.783(9) . 5_566 ? Br2 La4 La1 87.01(3) 1_565 5_566 ? Br2 La4 La1 125.00(3) . 5_566 ? Br3 La4 La1 53.578(17) . 5_566 ? La2 La4 La1 84.71(2) . 5_566 ? La1 La4 La1 60.392(19) 5_556 5_566 ? Ni1 La4 La4 136.32(3) . 1_565 ? Ni1 La4 La4 43.68(3) 1_565 1_565 ? Ni2 La4 La4 90.0 . 1_565 ? Br4 La4 La4 90.0 . 1_565 ? Br2 La4 La4 51.536(17) 1_565 1_565 ? Br2 La4 La4 128.464(17) . 1_565 ? Br3 La4 La4 90.001(1) . 1_565 ? La2 La4 La4 89.999(1) . 1_565 ? La1 La4 La4 120.197(9) 5_556 1_565 ? La1 La4 La4 59.805(9) 5_566 1_565 ? Ni1 La4 La4 43.68(3) . 1_545 ? Ni1 La4 La4 136.32(3) 1_565 1_545 ? Ni2 La4 La4 90.000(1) . 1_545 ? Br4 La4 La4 90.0 . 1_545 ? Br2 La4 La4 128.464(17) 1_565 1_545 ? Br2 La4 La4 51.536(17) . 1_545 ? Br3 La4 La4 90.0 . 1_545 ? La2 La4 La4 90.0 . 1_545 ? La1 La4 La4 59.805(9) 5_556 1_545 ? La1 La4 La4 120.197(9) 5_566 1_545 ? La4 La4 La4 179.997(1) 1_565 1_545 ? La3 Br1 La3 108.92(4) . 7 ? La3 Br1 La3 108.92(4) . 7_545 ? La3 Br1 La3 78.29(4) 7 7_545 ? La3 Br1 La2 75.19(3) . . ? La3 Br1 La2 103.201(17) 7 . ? La3 Br1 La2 175.05(5) 7_545 . ? La3 Br1 La2 75.20(3) . 1_545 ? La3 Br1 La2 175.05(5) 7 1_545 ? La3 Br1 La2 103.202(17) 7_545 1_545 ? La2 Br1 La2 74.92(3) . 1_545 ? La1 Br2 La4 111.25(4) . . ? La1 Br2 La4 111.26(4) . 1_545 ? La4 Br2 La4 76.93(3) . 1_545 ? La1 Br2 La2 78.02(3) . 1_556 ? La4 Br2 La2 102.659(18) . 1_556 ? La4 Br2 La2 170.34(6) 1_545 1_556 ? La1 Br2 La2 78.02(3) . 1_546 ? La4 Br2 La2 170.34(6) . 1_546 ? La4 Br2 La2 102.659(18) 1_545 1_546 ? La2 Br2 La2 76.09(3) 1_556 1_546 ? La4 Br3 La4 180.0 . 5_566 ? La4 Br3 La1 105.460(18) . . ? La4 Br3 La1 74.541(18) 5_566 . ? La4 Br3 La1 74.542(18) . 5_556 ? La4 Br3 La1 105.457(18) 5_566 5_556 ? La1 Br3 La1 105.910(19) . 5_556 ? La4 Br3 La1 74.542(18) . 5_566 ? La4 Br3 La1 105.457(18) 5_566 5_566 ? La1 Br3 La1 180.0 . 5_566 ? La1 Br3 La1 74.090(19) 5_556 5_566 ? La4 Br3 La1 105.458(18) . 1_565 ? La4 Br3 La1 74.543(18) 5_566 1_565 ? La1 Br3 La1 74.090(19) . 1_565 ? La1 Br3 La1 180.00(3) 5_556 1_565 ? La1 Br3 La1 105.910(19) 5_566 1_565 ? La3 Br4 La3 81.11(4) 1_565 . ? La3 Br4 La4 82.70(4) 1_565 . ? La3 Br4 La4 82.70(4) . . ? La3 Br4 La3 113.67(4) 1_565 7_556 ? La3 Br4 La3 113.67(4) . 7_556 ? La4 Br4 La3 157.73(5) . 7_556 ? Ni2 Ni1 Ni2 96.77(8) 1_545 . ? Ni2 Ni1 La4 66.39(4) 1_545 1_545 ? Ni2 Ni1 La4 132.91(8) . 1_545 ? Ni2 Ni1 La4 132.91(8) 1_545 . ? Ni2 Ni1 La4 66.39(4) . . ? La4 Ni1 La4 92.64(6) 1_545 . ? Ni2 Ni1 La2 126.34(7) 1_545 . ? Ni2 Ni1 La2 61.65(4) . . ? La4 Ni1 La2 162.63(8) 1_545 . ? La4 Ni1 La2 85.51(2) . . ? Ni2 Ni1 La2 61.64(4) 1_545 1_545 ? Ni2 Ni1 La2 126.34(7) . 1_545 ? La4 Ni1 La2 85.51(2) 1_545 1_545 ? La4 Ni1 La2 162.63(8) . 1_545 ? La2 Ni1 La2 91.12(6) . 1_545 ? Ni2 Ni1 La3 131.05(4) 1_545 . ? Ni2 Ni1 La3 131.05(4) . . ? La4 Ni1 La3 83.63(5) 1_545 . ? La4 Ni1 La3 83.63(5) . . ? La2 Ni1 La3 79.00(5) . . ? La2 Ni1 La3 79.00(5) 1_545 . ? Ni2 Ni1 La1 55.56(5) 1_545 5_556 ? Ni2 Ni1 La1 55.56(5) . 5_556 ? La4 Ni1 La1 80.50(5) 1_545 5_556 ? La4 Ni1 La1 80.50(5) . 5_556 ? La2 Ni1 La1 116.08(5) . 5_556 ? La2 Ni1 La1 116.08(5) 1_545 5_556 ? La3 Ni1 La1 156.92(6) . 5_556 ? Ni2 Ni2 Ni1 131.61(4) 5_565 1_565 ? Ni2 Ni2 Ni1 131.61(4) 5_565 . ? Ni1 Ni2 Ni1 96.77(8) 1_565 . ? Ni2 Ni2 La2 137.24(11) 5_565 . ? Ni1 Ni2 La2 61.39(5) 1_565 . ? Ni1 Ni2 La2 61.39(5) . . ? Ni2 Ni2 La1 67.27(6) 5_565 5_556 ? Ni1 Ni2 La1 140.33(8) 1_565 5_556 ? Ni1 Ni2 La1 74.23(4) . 5_556 ? La2 Ni2 La1 133.96(3) . 5_556 ? Ni2 Ni2 La1 67.27(6) 5_565 5_566 ? Ni1 Ni2 La1 74.23(4) 1_565 5_566 ? Ni1 Ni2 La1 140.33(8) . 5_566 ? La2 Ni2 La1 133.96(3) . 5_566 ? La1 Ni2 La1 88.31(6) 5_556 5_566 ? Ni2 Ni2 La4 141.29(11) 5_565 . ? Ni1 Ni2 La4 58.26(5) 1_565 . ? Ni1 Ni2 La4 58.26(5) . . ? La2 Ni2 La4 81.47(5) . . ? La1 Ni2 La4 85.61(5) 5_556 . ? La1 Ni2 La4 85.61(5) 5_566 . ? Ni2 Ni2 La1 62.07(5) 5_565 1_554 ? Ni1 Ni2 La1 144.81(8) 1_565 1_554 ? Ni1 Ni2 La1 79.60(4) . 1_554 ? La2 Ni2 La1 87.17(5) . 1_554 ? La1 Ni2 La1 72.80(3) 5_556 1_554 ? La1 Ni2 La1 129.34(7) 5_566 1_554 ? La4 Ni2 La1 136.69(3) . 1_554 ? Ni2 Ni2 La1 62.07(5) 5_565 1_564 ? Ni1 Ni2 La1 79.60(4) 1_565 1_564 ? Ni1 Ni2 La1 144.81(8) . 1_564 ? La2 Ni2 La1 87.17(5) . 1_564 ? La1 Ni2 La1 129.34(7) 5_556 1_564 ? La1 Ni2 La1 72.80(3) 5_566 1_564 ? La4 Ni2 La1 136.69(3) . 1_564 ? La1 Ni2 La1 83.72(5) 1_554 1_564 ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 24.98 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 2.077 _refine_diff_density_min -1.897 _refine_diff_density_rms 0.396