A Tetranuclear Butterfly Cluster of Molybdenum, [PPh~4~]~2~[Mo~4~I~11~]
Gordon, J.C.; Poli, R.; Acta Crystallographica Section C 51 (1995) 14–18; doi:10.1107/S0108270194004877

data_2010367
_publ_section_title
;
 A Tetranuclear Butterfly Cluster of Molybdenum,
 [PPh~4~]~2~[Mo~4~I~11~]
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_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              14
_journal_page_last               18
_journal_paper_doi               10.1107/S0108270194004877
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C48 H40 I11 Mo4 P2'
_chemical_formula_weight         2458.5
_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           'TEXSAN (Molecular Structure Corporation,year?'
_cell_angle_alpha                94.72(3)
_cell_angle_beta                 91.80(5)
_cell_angle_gamma                107.98(5)
_cell_formula_units_Z            2
_cell_length_a                   10.474(6)
_cell_length_b                   12.862(5)
_cell_length_c                   23.882(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      13.5
_cell_measurement_theta_min      8.5
_cell_volume                     3044(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.003
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            8368
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        -0.2
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.391
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.262
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.68
_exptl_crystal_density_meas      2.56
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.91
_refine_diff_density_min         -2.45
_refine_ls_goodness_of_fit_obs   2.97
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     586
_refine_ls_number_reflns         5900
_refine_ls_R_factor_obs          0.060
_refine_ls_shift/esd_max         0.47
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(|F~o~|)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.078
_reflns_number_observed          5900
_reflns_number_total             7938
_reflns_observed_criterion       F~o~>6\s(F~o~)
_cod_data_source_file            gr1011.cif
_cod_data_source_block           gr1011_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        3044(5)
_cod_database_code               2010367