Two-step C-H, C-P bond activation at an α-diimine iron dinitrogen complex.
Ghosh, Chandrani; Groy, Thomas L.; Bowman, Amanda C.; Trovitch, Ryan J.; Chemical communications (Cambridge, England) 52 (2016) 4553–4556; doi:10.1039/c5cc09167e

data_7118810
_publ_section_title
;
 Two-step C-H, C-P bond activation at an \a-diimine iron dinitrogen
 complex.
;
_journal_issue                   24
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4553
_journal_page_last               4556
_journal_paper_doi               10.1039/c5cc09167e
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C34 H38 Fe N4 P2'
_chemical_formula_sum            'C34 H38 Fe N4 P2'
_chemical_formula_weight         620.47
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2015-08-28 deposited with the CCDC.
2016-02-26 downloaded from the CCDC.
;
_cell_angle_alpha                79.3091(8)
_cell_angle_beta                 77.1334(9)
_cell_angle_gamma                72.6186(8)
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_cell_measurement_reflns_used    3639
_cell_measurement_temperature    123.(2)
_cell_measurement_theta_max      26.3384
_cell_measurement_theta_min      2.3334
_cell_volume                     1526.31(14)
_computing_cell_refinement       'SAINT V8.32B (Bruker AXS Inc., 2013)'
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_diffrn_ambient_temperature      123.(2)
_diffrn_detector_area_resol_mean 8.3330
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Smart APEX'
_diffrn_measurement_method       '\w and \f scans'
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_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_max         26.41
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_coefficient_mu    0.629
_exptl_absorpt_correction_T_max  0.745
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_exptl_crystal_colour            'clear dark yellow-green'
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.205
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.076
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         6274
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0373
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0468P)^2^+0.2477P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0861
_refine_ls_wR_factor_ref         0.0925
_reflns_number_gt                5036
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_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7118809--7118811.cif.'
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