μ-Bis(diphenylphosphino)methane-<i>P</i>:<i>P</i>'-octacarbonyldimanganese(<i>Mn</i>‒<i>Mn</i>) and its toluene hemisolvate
Baxley, Gregory T.; Stiegman, Albert E.; Nieckarz, Gregory F.; Weakley, Timothy J. R.; Tyler, David R.; Gilbertson, John; Acta Crystallographica Section C 57 (2001) 1292–1294; doi:10.1107/S0108270101013130

data_2012310
_publ_section_title
;\m-Bis(diphenylphosphino)methane-<i>P</i>:<i>P</i>'-octacarbonyldimanganese(<i>Mn</i>--<i>Mn</i>)
 and its toluene hemisolvate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1292
_journal_page_last               1294
_journal_paper_doi               10.1107/S0108270101013130
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Mn2 (C O)8 (C25 H22 P2)]'
_chemical_formula_moiety         'C33 H22 Mn2 O8 P2'
_chemical_formula_structural     '[Mn2 (C O)8 (C25 H22 P2)]'
_chemical_formula_sum            'C33 H22 Mn2 O8 P2'
_chemical_formula_weight         718.36
_chemical_name_systematic
;
\m-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn-Mn)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_cell_length_c                   17.868(8)
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_cell_measurement_theta_max      13.9
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_computing_cell_refinement       'CAD-4-PC Software'
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'TEXSAN (Molecular Structure Corporation, 1997)'
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_diffrn_measured_fraction_theta_full .94
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_diffrn_measurement_device       'Enraf-Nonius CAD-4'
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_diffrn_standards_decay_%        4.5
_diffrn_standards_interval_time  60
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_exptl_absorpt_coefficient_mu    .94
_exptl_absorpt_correction_T_max  .958
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_exptl_absorpt_process_details   '(de Meulenaer & Tompa, 1965)'
_exptl_crystal_colour            yellow
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_refine_ls_R_factor_all          .061
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_refine_ls_shift/su_max          .025
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 4Fo^2^/[\s^2^(I)+(0.02I)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .086
_refine_ls_wR_factor_ref         .044
_reflns_number_gt                8260
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_reflns_threshold_expression     I>\s(I)
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' 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 
;
_cod_original_cell_volume        3207(2)
_cod_database_code               2012310