Heptacarbonylbis(triphenylphosphine)bis(μ~3~-tellurium)-triiron
Rheingold, A. L.; Ostrander, R. L.; Mathur, P.; Acta Crystallographica Section C 49 (1993) 1741–1743; doi:10.1107/S0108270193003075

data_2001287
_publ_section_title
;
 Heptacarbonylbis(triphenylphosphine)bis(\m~3~-tellurium)-triiron
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1741
_journal_page_last               1743
_journal_paper_doi               10.1107/S0108270193003075
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C43 H30 Fe3 O7 P2 Te2'
_chemical_formula_weight         1143.4
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                87.66(3)
_cell_angle_beta                 66.45(2)
_cell_angle_gamma                86.44(3)
_cell_formula_units_Z            2
_cell_length_a                   11.763(4)
_cell_length_b                   13.598(5)
_cell_length_c                   14.635(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      10
_cell_volume                     2141.5(13)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0209
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7862
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <3
_diffrn_standards_interval_count 197
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.54
_exptl_absorpt_correction_T_max  0.572
_exptl_absorpt_correction_T_min  0.426
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Dark red'
_exptl_crystal_density_diffrn    1.77
_exptl_crystal_description       Block
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.61
_refine_diff_density_min         -0.42
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.997
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     442
_refine_ls_number_reflns         6297
_refine_ls_R_factor_obs          0.0271
_refine_ls_shift/esd_max         0.332
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(F~o~)+0.0010F~o~^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0323
_reflns_number_observed          6299
_reflns_number_total             7541
_reflns_observed_criterion       F~o~>5.0\s(F~o~)
_cod_data_source_file            hh1039.cif
_cod_data_source_block           hh1039_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s^2^(F~o~)+0.0010F~o~^2^]^-1^'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
[\s^2^(F~o~)+0.0010F~o~^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2140.0(10)
_cod_database_code               2001287