A Methoxycarbonyl-Substituted Cyclopentadienyl‒Dicarbonyl‒Trimethylphosphite‒Molybdenum Complex Dimer, [Mo(η^5^-MeO~2~C~2~Cp){P(OMe)~3~}(CO)~2~]~2~
Qiu, P.; Guo, G.; Huang, X.; Acta Crystallographica Section C 52 (1996) 2484–2486; doi:10.1107/S0108270196007275

data_2005528
_publ_section_title
;
 A Methoxycarbonyl-Substituted
 Cyclopentadienyl--Dicarbonyl--Trimethylphosphite--Molybdenum Complex
 Dimer, [Mo(\h^5^-MeO~2~C~2~Cp){P(OMe)~3~}(CO)~2~]~2~
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2484
_journal_page_last               2486
_journal_paper_doi               10.1107/S0108270196007275
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Mo2 (C7 H7 O2)2 (C3 H9 P1 O3)2 (C1 O1)4]'
_chemical_formula_moiety         'Mo2 P2 O14 C24 H32'
_chemical_formula_sum            'C24 H32 Mo2 O14 P2'
_chemical_formula_weight         798.34
_chemical_name_systematic        ?
_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                111.76(8)
_cell_angle_beta                 103.34(7)
_cell_angle_gamma                104.20(7)
_cell_formula_units_Z            1
_cell_length_a                   10.387(7)
_cell_length_b                   10.63(1)
_cell_length_c                   8.016(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      15
_cell_measurement_theta_min      6
_cell_volume                     744.3(14)
_computing_cell_refinement       CONTROL
_computing_data_collection
'CONTROL (Molecular Structure Corporation, 1988)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1985)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'GCIF, local program'
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'MITHRIL (Gilmore, 1983)'
_diffrn_measurement_device       'AFC5R Rigaku'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            2231
_diffrn_reflns_theta_max         23.0
_diffrn_standards_decay_%        2.7
_diffrn_standards_interval_count 250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.99
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type
'empirical via \y scans (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.78
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.60
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.13
_refine_ls_hydrogen_treatment    'H atoms not refined'
_refine_ls_number_parameters     190
_refine_ls_number_reflns         1183
_refine_ls_R_factor_obs          .0500
_refine_ls_shift/esd_max         0.01
_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         .0540
_reflns_number_observed          1183
_reflns_number_total             2075
_reflns_observed_criterion       refl_observed_if_I_>3.0_sigma(I)
_cod_data_source_file            kh1083.cif
_cod_data_source_block           qp2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (28
times).

'_geom_bond_publ_flag' value 'No' changed to 'no' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (16
times).

'_geom_angle_publ_flag' value 'Yes' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (45
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 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        744(3)
_cod_original_formula_sum        'Mo2 P2 O14 C24 H32'
_cod_database_code               2005528