Crystal structure of hexalanthanum osmium decaiodide, La~6~OsI~10~
Hj. Mattausch; A. Simon; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 121–121; doi:

data_8102892
_publ_section_title
;
Crystal structure of hexalanthanum osmium decaiodide, La~6~OsI~10~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              121
_journal_page_last               121
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'I10 La6 Os'
_chemical_formula_weight         2292.66
_chemical_name_common            'hexalanthanum osmium decaiodide'
_chemical_name_systematic
; 
 hexalanthanum monoosmium decaiodode 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.62(2)
_cell_angle_beta                 97.62(2)
_cell_angle_gamma                106.02(2)
_cell_formula_units_Z            1
_cell_length_a                   8.033(1)
_cell_length_b                   9.861(1)
_cell_length_c                   10.048(1)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.9
_cell_measurement_theta_min      2.9
_cell_volume                     703.4(2)
_computing_cell_refinement       'IPDS package (Stoe, Darmstadt)'
_computing_data_collection       'IPDS package (Stoe, Darmstadt)'
_computing_data_reduction        'IPDS package (Stoe, Darmstadt)'
_computing_molecular_graphics    'ATOMS 5.0'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.938
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measurement_device_type  'IPDS-I (Stoe, Darmstadt)'
_diffrn_measurement_method       phi-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0246
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18746
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.78
_exptl_absorpt_coefficient_mu    12.929
_exptl_absorpt_correction_T_max  0.7121
_exptl_absorpt_correction_T_min  0.2281
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED 1.22 [3], XSHAPE 1.03 [4]'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.737
_refine_diff_density_min         -1.833
_refine_diff_density_rms         0.258
_refine_ls_extinction_coef       0.00000(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_matrix_type           full
_refine_ls_number_parameters     80
_refine_ls_number_reflns         4733
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0223
_refine_ls_shift/su_max          1.996
_refine_ls_shift/su_mean         0.039
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0330P)^2^+0.0213P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0515
_refine_ls_wR_factor_ref         0.0548
_reflns_number_gt                4042
_reflns_number_total             4733
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409817.cff
_cod_data_source_block           re3452mc
_cod_original_cell_volume        703.38(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8102892