Chlorido{<i>N</i>-[(diethylamino)dimethylsilyl]anilido-κ<i>N</i>}(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')iron(II)
Chen, Juan; Acta Crystallographica Section E 68 (2012) m1444–; doi:10.1107/S1600536812044741

data_2236838
_publ_section_title
;
 Chlorido{<i>N</i>-[(diethylamino)dimethylsilyl]anilido-\k<i>N</i>}(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-\k^2^<i>N</i>,<i>N</i>')iron(II)
;
_journal_coeditor_code           CV5351
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1444
_journal_paper_doi               10.1107/S1600536812044741
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Fe (C12 H21 N2 Si) Cl (C6 H16 N2)]'
_chemical_formula_moiety         'C18 H37 Cl Fe N4 Si'
_chemical_formula_sum            'C18 H37 Cl Fe N4 Si'
_chemical_formula_weight         428.91
_chemical_name_systematic
;
Chlorido{<i>N</i>-[(diethylamino)dimethylsilyl]anilido-
\k<i>N</i>}(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-
1,2-diamine-\k^2^<i>N</i>,<i>N</i>')iron(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.1570(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.2317(10)
_cell_length_b                   10.7821(6)
_cell_length_c                   14.2098(8)
_cell_measurement_reflns_used    3162
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.266
_cell_measurement_theta_min      2.228
_cell_volume                     2400.4(2)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART area-detector'
_diffrn_measurement_method       '\f and \w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0526
_diffrn_reflns_av_sigmaI/netI    0.0606
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12665
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.29
_diffrn_standards_decay_%        3.86
_exptl_absorpt_coefficient_mu    0.798
_exptl_absorpt_correction_T_max  0.8897
_exptl_absorpt_correction_T_min  0.8255
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.187
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.708
_refine_diff_density_min         -0.647
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         4222
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.1085
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1016P)^2^+1.3944P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1560
_refine_ls_wR_factor_ref         0.1903
_reflns_number_gt                2584
_reflns_number_total             4222
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            cv5351.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2236838
_cod_database_fobs_code          2236838