Molecular Structure of Te(OMe)4.ClTe(OMe)3, a Model for Ligand Exchange between Te(IV) Centers
Holger Fleischer; Dieter Schollmeyer; Inorganic Chemistry 40 (2001) 324–328; doi:10.1021/ic000374t

data_4319143
_publ_section_title
;
 Molecular Structure of Te(OMe)4.ClTe(OMe)3, a Model for Ligand Exchange
 between Te(IV) Centers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              324
_journal_page_last               328
_journal_paper_doi               10.1021/ic000374t
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C7 H21 Cl O7 Te2'
_chemical_formula_weight         507.88
_chemical_name_systematic
; 
 ? 
;
_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_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.975(6)
_cell_angle_beta                 99.750(7)
_cell_angle_gamma                91.667(7)
_cell_formula_units_Z            2
_cell_length_a                   7.1309(6)
_cell_length_b                   10.3345(8)
_cell_length_c                   10.6899(8)
_cell_measurement_reflns_used    100
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      4
_cell_volume                     763.28(11)
_computing_cell_refinement       'P4 Software'
_computing_data_collection       'P4 Software'
_computing_data_reduction        'P4 Software'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-92 (Altomare, 1994)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'euler cradle'
_diffrn_measurement_device_type  'P4 Siemens'
_diffrn_measurement_method       \w/2\w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_sigmaI/netI    0.0659
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4121
_diffrn_reflns_theta_full        26.99
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         2.54
_diffrn_source                   'sealed tube'
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.014
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type   'Psi scans'
_exptl_absorpt_process_details   Platon
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.210
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.388
_refine_diff_density_min         -1.357
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         3314
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_obs          0.0445
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0540P)^2^+0.2185P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0985
_refine_ls_wR_factor_ref         0.1116
_reflns_number_observed          2377
_reflns_number_total             3314
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic000374t.cif
_cod_data_source_block           C7H21ClO7Te2
_cod_original_cell_volume        763.28(10)
_cod_database_code               4319143