Carbonyl(η^5^-cyclopentadienyl)(pyridine)(triethylstannyl)iron(II)
Itazaki, Masumi; Kamitani, Masahiro; Nakazawa, Hiroshi; Acta Crystallographica Section E 64 (2008) m1578–; doi:10.1107/S1600536808037781

data_2220382
_publ_section_title
;
 Carbonyl(\h^5^-cyclopentadienyl)(pyridine)(triethylstannyl)iron(II)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1578
_journal_paper_doi               10.1107/S1600536808037781
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Fe Sn (C2 H5)3 (C5 H5) (C5 H5 N) (CO)]'
_chemical_formula_moiety         'C17 H25 Fe N O Sn'
_chemical_formula_sum            'C17 H25 Fe N O Sn'
_chemical_formula_weight         433.92
_chemical_name_systematic
;
Carbonyl(\h^5^-cyclopentadienyl)(pyridine)(triethylstannyl)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'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.783(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.038(4)
_cell_length_b                   7.8271(19)
_cell_length_c                   15.717(4)
_cell_measurement_reflns_used    4766
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.484
_cell_measurement_theta_min      4.092
_cell_volume                     1837.0(8)
_computing_cell_refinement       'CrystalClear (Rigaku, 2001)'
_computing_data_collection       'CrystalClear (Rigaku, 2001)'
_computing_data_reduction        'CrystalClear (Rigaku, 2001)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0688
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17586
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         4.09
_exptl_absorpt_coefficient_mu    2.148
_exptl_absorpt_correction_T_max  0.9583
_exptl_absorpt_correction_T_min  0.7677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.543
_refine_diff_density_min         -0.495
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         4174
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.1171
_refine_ls_R_factor_gt           0.0875
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+25.1156P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1273
_refine_ls_wR_factor_ref         0.1376
_reflns_number_gt                3439
_reflns_number_total             4174
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2203.cif
_cod_data_source_block           I
_cod_original_cell_volume        1837.1(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2220382
_cod_database_fobs_code          2220382