Synthesis and Properties of Tellurinic Anhydride‒Tellurone Adducts
Oba, Makoto; Nishiyama, Kozaburo; Koguchi, Shinichi; Shimada, Shigeru; Ando, Wataru; Organometallics 32 (2013) 6620–; doi:10.1021/om400772d

data_4081912
_publ_section_title
;
 Synthesis and Properties of Tellurinic Anhydride--Tellurone Adducts
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              6620
_journal_paper_doi               10.1021/om400772d
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C120 H184 O10 Te6'
_chemical_formula_sum            'C120 H184 O10 Te6'
_chemical_formula_weight         2552.37
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-09-27
_audit_creation_method           'by CrystalStructure 4.0'
_cell_angle_alpha                94.6230(10)
_cell_angle_beta                 93.0820(10)
_cell_angle_gamma                109.7500(10)
_cell_formula_units_Z            2
_cell_length_a                   14.8010(10)
_cell_length_b                   18.3641(12)
_cell_length_c                   25.2862(17)
_cell_measurement_reflns_used    5312
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.68
_cell_measurement_theta_min      2.28
_cell_volume                     6423.5(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean '8.366 [pixels/mm]'
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            38309
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.394
_exptl_absorpt_correction_T_max  0.885
_exptl_absorpt_correction_T_min  0.787
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS; Sheldrick 1996
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2592.00
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.090
_refine_diff_density_max         2.110
_refine_diff_density_min         -0.610
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1246
_refine_ls_number_reflns         27342
_refine_ls_number_restraints     52
_refine_ls_R_factor_gt           0.0446
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0430P)^2^+4.5000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1024
_reflns_number_gt                21392
_reflns_number_total             27340
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om400772d_si_002.cif
_cod_data_source_block           General
_cod_original_cell_volume        6423.5(8)
_cod_database_code               4081912