Crystal Structures and Packing of the Tricarbonylbis(phosphine)iron(0) Complexes trans-Fe(CO)3L2 (L = PPh2Me, PPh3). Interplay between Arene-Arene Interactions and Phosphine Conformations
Rainer Glaser; Paul E. Haney; Charles L. Barnes; Inorganic Chemistry 35 (1996) 1758–1764; doi:10.1021/ic9509894

data_4324058
_publ_section_title
;
 Crystal Structures and Packing of the Tricarbonylbis(phosphine)iron(0)
 Complexes trans-Fe(CO)3L2 (L = PPh2Me, PPh3). Interplay between
 Arene-Arene Interactions and Phosphine Conformations
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1758
_journal_page_last               1764
_journal_paper_doi               10.1021/ic9509894
_journal_volume                  35
_journal_year                    1996
_chemical_formula_moiety         'C29 H26 O3 P2 Fe '
_chemical_formula_sum            'C29 H26 Fe O3 P2'
_chemical_formula_weight         540.31
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 91.081(11)
_cell_angle_gamma                90.0
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_cell_length_a                   15.551(6)
_cell_length_b                   9.7024(12)
_cell_length_c                   17.320(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      15.00
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_diffrn_measurement_device       'Nonius CAD-4    '
_diffrn_measurement_method       'Theta/2theta scan b/P/b '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
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_refine_ls_weighting_details     'w = 1/(\s^2^(F)+0.0005F^2^)'
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;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+0.0005F^2^)' 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)+0.0005F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C29 H26 O3 P2 Fe '
_cod_database_code               4324058