Binuclear iron(ii) complex from a linked-bis(amidinate) ligand: synthesis and its reaction with carbon monoxide
Kawaguchi, Hiroyuki; Matsuo, Tsukasa; Chemical Communications  (2002) 958–; doi:10.1039/b111651g

data_7114538
_publ_section_title
;
 Binuclear iron(ii) complex from a linked-bis(amidinate) ligand: synthesis
 and its reaction with carbon monoxide
;
_journal_issue                   9
_journal_name_full               'Chemical Communications'
_journal_page_first              958
_journal_paper_doi               10.1039/b111651g
_journal_year                    2002
_chemical_formula_moiety         'C52 H76 Fe2 N8 Si4 '
_chemical_formula_sum            'C52 H76 Fe2 N8 Si4'
_chemical_formula_weight         1037.26
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             'Thu Mar  7 16:06:07 2002'
_audit_creation_method           'by CrystalStructure v2.00'
_cell_angle_alpha                90
_cell_angle_beta                 92.452(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.6648(9)
_cell_length_b                   18.6585(9)
_cell_length_c                   13.5164(5)
_cell_measurement_reflns_used    9478
_cell_measurement_temperature    193.2
_cell_measurement_theta_max      13.7
_cell_measurement_theta_min      1.5
_cell_volume                     5962.7(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 7.32
_diffrn_measured_fraction_theta_full 0.9927
_diffrn_measured_fraction_theta_max 0.9950
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            28006
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         24.78
_exptl_absorpt_coefficient_mu    0.605
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.808
_exptl_absorpt_correction_type   'REQABA Empirical Absorption Correction'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.155
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.79
_refine_diff_density_min         -0.47
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     337
_refine_ls_number_reflns         6822
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.001Fo^2^ + 0.320\s^2^(Fo)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1110
_reflns_number_gt                3805
_reflns_number_total             7031
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b111651g.txt
_cod_data_source_block           Fe2(L)2
_cod_original_formula_sum        'C52 H76 Fe2 N8 Si4 '
_cod_database_code               7114538