Crystal structure of dilead(II) oxochromate(VI) oxotellurate(IV)
Weil, Matthias; Acta Crystallographica Section E 73 (2017) 853–855; doi:10.1107/S2056989017006995

data_2242245
_publ_section_title
;
 Crystal structure of dilead(II) oxochromate(VI) oxotellurate(IV)
;
_journal_coeditor_code           HB7677
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              853
_journal_page_last               855
_journal_paper_doi               10.1107/S2056989017006995
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          'Pb2 (Cr O4) (Te O3)'
_chemical_formula_sum            'Cr O7 Pb2 Te'
_chemical_formula_weight         705.98
_chemical_name_systematic
;
Dilead(II) oxochromate(VI) oxotellurate(IV)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 111.098(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4736(12)
_cell_length_b                   10.8091(16)
_cell_length_c                   9.4065(14)
_cell_measurement_reflns_used    3031
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.278
_cell_measurement_theta_min      3.070
_cell_volume                     708.9(2)
_computing_cell_refinement
;
SAINT (Bruker, 2015)
;
_computing_data_collection
;
APEX3 (Bruker, 2015)
;
_computing_data_reduction
;
SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
ATOMS (Dowty, 2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution    'coordinates taken from an isotypic compound'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\w- and \f-scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0940
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            23485
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.646
_diffrn_reflns_theta_min         2.990
_exptl_absorpt_coefficient_mu    52.905
_exptl_absorpt_correction_T_max  .494
_exptl_absorpt_correction_T_min  .264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2015)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    6.614
_exptl_crystal_description       plate
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.468
_refine_diff_density_min         -2.325
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     100
_refine_ls_number_reflns         2183
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0264P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0644
_refine_ls_wR_factor_ref         0.0697
_reflns_number_gt                1760
_reflns_number_total             2183
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7677sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        708.95(19)
_cod_database_code               2242245
_shelx_estimated_absorpt_t_min   0.087
_shelx_estimated_absorpt_t_max   0.620
_shelx_hkl_checksum              65682
_shelx_res_checksum              63550
_cod_database_fobs_code 2242245