An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity
Osamu Niyomura; Shinzi Kato; Satoshi Inagaki; Journal of the American Chemical Society 122 (2000) 2132–2133; doi:10.1021/ja993120j

data_4115944
_publ_section_title
;
 An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its
 Planarity
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2132
_journal_page_last               2133
_journal_paper_doi               10.1021/ja993120j
_journal_volume                  122
_journal_year                    2000
_chemical_formula_moiety         'C16 H14 O4 Te2 '
_chemical_formula_sum            'C16 H14 O4 Te2'
_chemical_formula_weight         525.48
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Mon Jan 18 23:29:54 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 94.6(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.319(7)
_cell_length_b                   12.198(8)
_cell_length_c                   15.287(7)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    193.2
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      12.9
_cell_volume                     802.8(15)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      193.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.02467
_diffrn_orient_matrix_UB_12      0.08149
_diffrn_orient_matrix_UB_13      0.00212
_diffrn_orient_matrix_UB_21      -0.05175
_diffrn_orient_matrix_UB_22      0.00386
_diffrn_orient_matrix_UB_23      -0.06487
_diffrn_orient_matrix_UB_31      -0.22507
_diffrn_orient_matrix_UB_32      0.00804
_diffrn_orient_matrix_UB_33      0.00970
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.122
_diffrn_reflns_av_sigmaI/netI    0.056
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            4164
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        0.41
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.648
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.553
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   '(Walker & Stuart, 1983)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.174
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             492.00
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.110
_refine_diff_density_max         1.86
_refine_diff_density_min         -1.85
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   3.941
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     100
_refine_ls_number_reflns         1325
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0631
_refine_ls_R_factor_gt           0.0631
_refine_ls_shift/su_max          0.0036
_refine_ls_shift/su_mean         0.0006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00010|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0767
_refine_ls_wR_factor_ref         0.0767
_reflns_number_gt                1325
_reflns_number_total             1932
_reflns_threshold_expression     >3.0sigma(I)
_cod_data_source_file            ja993120j_1.cif
_cod_data_source_block           (2-CH3OC6H4COTe)2
_cod_original_cell_volume        802(1)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C16 H14 O4 Te2 '
_cod_database_code               4115944