[<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]
Ueng, C.-H.; Shih, G.-Y.; Acta Crystallographica Section C 51 (1995) 1524–1526; doi:10.1107/S0108270194014605

data_2003810
_publ_section_title
;
 [<i>M</i>~2~(CO)~10~(\m-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ =
 Ph~2~P(CH~2~)~5~PPh~2~]
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1524
_journal_page_last               1526
_journal_paper_doi               10.1107/S0108270194014605
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'evaporation from CH~2~Cl~2~/n-hexane'
_chemical_formula_sum            'C39 H30 O10 P2 W2'
_chemical_formula_weight         1088.30
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 94.04(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.956(4)
_cell_length_b                   8.553(1)
_cell_length_c                   17.784(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      12.50
_cell_measurement_theta_min      9.75
_cell_volume                     3938.3(10)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2573
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.10
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.507
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.836
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.59
_refine_diff_density_min         -0.81
_refine_ls_extinction_coef       1.32(4)\mm
_refine_ls_extinction_method     secondary
_refine_ls_goodness_of_fit_obs   2.92
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     241
_refine_ls_number_reflns         2047
_refine_ls_R_factor_obs          0.028
_refine_ls_shift/esd_max         0.006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.026
_reflns_number_observed          2074
_reflns_number_total             2573
_reflns_observed_criterion       I>2.0\s(I)
_cod_data_source_file            mu1146.cif
_cod_data_source_block           II
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' 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)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3938.0(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2003810