Bis[tris(tetrahydrofuran)lithium(1+)] bis(μ-diphenylphosphanido)bis(tetracarbonylmolybdate)(2‒)
Wong, W.-T.; Wong, W.-K.; Acta Crystallographica Section C 50 (1994) 1404–1406; doi:10.1107/S010827019400209X

data_2010054
_publ_section_title
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 Bis[tris(tetrahydrofuran)lithium(1+)]
 bis(\m-diphenylphosphanido)bis(tetracarbonylmolybdate)(2--)
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_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1404
_journal_page_last               1406
_journal_paper_doi               10.1107/S010827019400209X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C32 H20 Mo2 O8 P2,2(C12 H24 Li1 O3)'
_chemical_formula_sum            'C56 H68 Li2 Mo2 O14 P2'
_chemical_formula_weight         1232.89
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 100.38(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   11.278(5)
_cell_length_b                   19.531(7)
_cell_length_c                   14.204(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      13
_cell_measurement_theta_min      11
_cell_volume                     3077.5(18)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4695
_diffrn_reflns_theta_max         23
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.504
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.929
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_description       block
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.96
_refine_diff_density_min         -0.58
_refine_ls_goodness_of_fit_obs   3.918
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     283
_refine_ls_number_reflns         3194
_refine_ls_R_factor_obs          0.068
_refine_ls_shift/esd_max         0.03
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/{1 + [(F~o~ - 43.2)/142.7]^2^}'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.088
_reflns_number_observed          3194
_reflns_number_total             4438
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1093.cif
_cod_data_source_block           mu1093_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/{1 + [(F~o~ -
43.2)/142.7]^2^}' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/{1 + [(F~o~ - 43.2)/142.7]^2^}'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        3077.3(18)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2010054