Mechanistic Insight into NN Cleavage by a Low-Coordinate Iron(II) Hydride Complex
Azwana R. Sadique; Elizabeth A. Gregory; William W. Brennessel; Patrick L. Holland; Journal of the American Chemical Society 129 (2007) 8112–8121; doi:10.1021/ja069199r

data_4109592
_publ_section_title
;
 Mechanistic Insight into NN Cleavage by a Low-Coordinate Iron(II) Hydride
 Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8112
_journal_page_last               8121
_journal_paper_doi               10.1021/ja069199r
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C82 H132 Fe2 N4, 2(C7 H8)'
_chemical_formula_sum            'C96 H148 Fe2 N4'
_chemical_formula_weight         1469.88
_chemical_name_common            holas09
_chemical_name_systematic
;

 ?

;
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_cell_angle_beta                 123.668(1)
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_cell_length_a                   50.910(3)
_cell_length_b                   14.3387(9)
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_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      30.76
_cell_measurement_theta_min      2.73
_cell_volume                     17436.2(19)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100.0(1)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD Platform'
_diffrn_measurement_method       'area detector, \w scans per \f'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_theta_max         30.51
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_exptl_absorpt_correction_T_max  0.9146
_exptl_absorpt_correction_T_min  0.8884
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_exptl_absorpt_process_details   'SADABS (Blessing, 1995)'
_exptl_crystal_colour            'dark red'
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0607
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0675P)^2^+24.8494P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
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_cod_original_cell_volume        17436.1(19)
_cod_database_code               4109592