Planar three-coordinate iron(II) complexes supported by sterically demanding -Si(SiMe<sub>3</sub>)<sub>2</sub>(SiMe<sub>2</sub><sup><i>t</i></sup>Bu) ligands.
Ishii, Reon; Sunada, Yusuke; Dalton transactions (Cambridge, England : 2003) 53 (2024) 1421–1424; doi:10.1039/d3dt04130a

data_7714864
_publ_section_title
;
 Planar three-coordinate iron(II) complexes supported by sterically
 demanding
 -Si(SiMe<sub>3</sub>)<sub>2</sub>(SiMe<sub>2</sub><sup><i>t</i></sup>Bu)
 ligands.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1421
_journal_page_last               1424
_journal_paper_doi               10.1039/d3dt04130a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C31 H78 Fe N2 Si8'
_chemical_formula_sum            'C31 H78 Fe N2 Si8'
_chemical_formula_weight         759.50
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2023-10-11 deposited with the CCDC.	2023-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                100.822(7)
_cell_angle_beta                 94.290(7)
_cell_angle_gamma                101.043(7)
_cell_formula_units_Z            2
_cell_length_a                   10.4392(16)
_cell_length_b                   11.7999(18)
_cell_length_c                   20.072(3)
_cell_measurement_reflns_used    2991
_cell_measurement_temperature    100
_cell_measurement_theta_max      15.69
_cell_measurement_theta_min      7.69
_cell_volume                     2367.8(6)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.2.5'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS IV'
_diffrn_measurement_method       \w
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.41440
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            52887
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        14.397
_diffrn_reflns_theta_max         15.610
_diffrn_reflns_theta_min         1.048
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.000
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.670
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.065
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             832.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.51
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     405
_refine_ls_number_reflns         10859
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0367P)^2^+1.0374P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0794
_refine_ls_wR_factor_ref         0.0815
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10043
_reflns_number_total             10859
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            d3dt04130a2.cif
_cod_data_source_block           Fe[Si(TMS)2(SitBuMe2)]2(MeImMe)
_cod_depositor_comments
'Adding full bibliography for 7714863--7714864.cif.'
_cod_database_code               7714864
_shelx_res_checksum              74410