Bis(μ-phenyltellurido-κ^2^<i>Te</i>:<i>Te</i>)bis[tetracarbonylrhenium(I)]
Muthukumaran, J.; Kannan, M.; Vanitha, A.; Manimaran, Bala; Krishna, R.; Acta Crystallographica Section E 66 (2010) m558–m559; doi:10.1107/S1600536810014297

data_2225986
_publ_section_title
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 Bis(\m-phenyltellurido-\k^2^<i>Te</i>:<i>Te</i>)bis[tetracarbonylrhenium(I)]
;
_journal_coeditor_code           SJ2772
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m558
_journal_page_last               m559
_journal_paper_doi               10.1107/S1600536810014297
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Re2 (C6 H5 Te)2 (C O)8]'
_chemical_formula_moiety         'C40 H20 O16 Re4 Te4'
_chemical_formula_sum            'C40 H20 O16 Re4 Te4'
_chemical_formula_weight         2011.76
_chemical_name_systematic
;
Bis(\m-phenyltellurido-\k^2^<i>Te</i>:<i>Te</i>)bis[tetracarbonylrhenium(I)]
;
_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                106.593(7)
_cell_angle_beta                 99.932(9)
_cell_angle_gamma                105.572(10)
_cell_formula_units_Z            2
_cell_length_a                   9.8062(13)
_cell_length_b                   16.3418(15)
_cell_length_c                   17.1000(14)
_cell_measurement_reflns_used    15161
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.5793
_cell_measurement_theta_min      2.9375
_cell_volume                     2435.9(5)
_computing_cell_refinement       'CrysAlis Pro (Oxford Diffraction, 2009)'
_computing_data_collection       'CrysAlis Pro (Oxford Diffraction, 2009)'
_computing_data_reduction        'CrysAlis Pro (Oxford Diffraction, 2009)'
_computing_molecular_graphics    '<i>ORTEP-3 for Windows</i> (Farrugia, 1997)'
_computing_publication_material  '<i>PLATON</i> (Spek, 2009)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur-S'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_av_sigmaI/netI    0.0427
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20451
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.93
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.318
_exptl_absorpt_correction_T_max  0.1725
_exptl_absorpt_correction_T_min  0.1103
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'(<i>CrysAlis Pro</i>; Oxford Diffraction, 2009)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1792
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.267
_refine_diff_density_min         -2.548
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         8557
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0473P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0759
_refine_ls_wR_factor_ref         0.0789
_reflns_number_gt                7388
_reflns_number_total             8557
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            sj2772.cif
_cod_data_source_block           I
_cod_original_cell_volume        2435.9(4)
_cod_database_code               2225986
_cod_database_fobs_code          2225986