<i>trans</i>-[Mo~2~(CO)~8~(μ-dppp~e~)~2~] [dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]
Ueng, C.-H.; Hwang, J.-L.; Acta Crystallographica Section C 50 (1994) 1866–1868; doi:10.1107/S0108270194005573

data_2010319
_publ_section_title
;
 <i>trans</i>-[Mo~2~(CO)~8~(\m-dppp~e~)~2~] [dppp~e~ =
 Ph~2~P(CH~2~)~5~PPh~2~]
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1866
_journal_page_last               1868
_journal_paper_doi               10.1107/S0108270194005573
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C66 H60 Mo2 O8 P4'
_chemical_formula_weight         1296.96
_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_type_scat_source           IntTabIV
_cell_angle_alpha                72.056(13)
_cell_angle_beta                 87.550(12)
_cell_angle_gamma                74.118(12)
_cell_formula_units_Z            1
_cell_length_a                   9.4528(14)
_cell_length_b                   11.4874(18)
_cell_length_c                   15.494(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      12
_cell_measurement_theta_min      9
_cell_volume                     1537.9(4)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  'No data'
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4194
_diffrn_reflns_theta_max         22.45
_diffrn_standards_decay_%        6
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.55
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.890
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'light greenish yellow'
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.500
_refine_diff_density_min         -0.370
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.99
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     361
_refine_ls_number_reflns         2515
_refine_ls_R_factor_obs          0.041
_refine_ls_shift/esd_max         0.001
_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         0.044
_reflns_number_observed          2515
_reflns_number_total             4013
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            mu1095.cif
_cod_data_source_block           mu1095a
_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        1538.0(4)
_cod_database_code               2010319