Catalytic Reduction of Hydrazine to Ammonia by a Mononuclear Iron(II) Complex on a Tris(thiolato)phosphine Platform.
Chang, Ya-Ho; Chan, Pooi-Mun; Tsai, Yi-Fang; Lee, Gene-Hsiang; Hsu, Hua-Fen; Inorganic chemistry 53 (2014) 664–666; doi:10.1021/ic402108w

data_4337198
_publ_section_title
;
 Catalytic Reduction of Hydrazine to Ammonia by a Mononuclear Iron(II)
 Complex on a Tris(thiolato)phosphine Platform.
;
_journal_issue                   2
_journal_name_full               'Inorganic chemistry'
_journal_page_first              664
_journal_page_last               666
_journal_paper_doi               10.1021/ic402108w
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C65 H56 Fe N5 O P2 S3 Si3'
_chemical_formula_weight         1221.39
_chemical_name_common            '[PPh4][Fe(PS3")(CH3CN)]'
_chemical_name_systematic
; 
 ? 
;
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_cell_angle_beta                 99.829(3)
_cell_angle_gamma                112.010(2)
_cell_formula_units_Z            2
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_cell_length_b                   14.941(2)
_cell_length_c                   17.181(4)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.80
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_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_limit_h_min       -19
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_diffrn_reflns_theta_full        28.26
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    0.475
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.43
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1270
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1289P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2030
_refine_ls_wR_factor_ref         0.2352
_reflns_number_gt                9061
_reflns_number_total             15994
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic402108w_si_002.cif
_cod_data_source_block           p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        3262.5(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4337198