Synthesis and cyclic voltammetric studies of diiron complexes, ER(2)[(eta-C(5)H(4))Fe(L(2))Me](2) (E = C, Si, Ge, Sn; R = H, alkyl; L(2) = diphosphine] and (eta-C(5)H(5))Fe(L(2))ER(2)Fc [Fc = (eta-C(5)H(4))Fe(eta-C(5)H(5))].
Kumar, Mukesh; Cervantes-Lee, Francisco; Pannell, Keith H.; Shao, Jianguo; Organometallics 27 (2008) 4739–4748; doi:10.1021/om8004004

data_4071806
_publ_section_title
;
 Synthesis and cyclic voltammetric studies of diiron complexes,
 ER(2)[(eta-C(5)H(4))Fe(L(2))Me](2) (E = C, Si, Ge, Sn; R = H, alkyl; L(2)
 = diphosphine] and (eta-C(5)H(5))Fe(L(2))ER(2)Fc [Fc =
 (eta-C(5)H(4))Fe(eta-C(5)H(5))].
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4739
_journal_page_last               4748
_journal_paper_doi               10.1021/om8004004
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C33 H36 Fe P2 Si'
_chemical_formula_weight         578.50
_chemical_name_systematic
; 
 ? 
;
_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                 98.403(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.3242(12)
_cell_length_b                   12.3981(12)
_cell_length_c                   19.5110(19)
_cell_measurement_reflns_used    9289
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      52.696
_cell_measurement_theta_min      4.221
_cell_volume                     2949.2(5)
_computing_cell_refinement       'Bruker SMART V5.625, 2001'
_computing_data_collection       'Bruker SMART V5.625, 2001'
_computing_data_reduction        'Bruker SAINT V5.622, 2001'
_computing_molecular_graphics    'Bruker SHELXTL V6.10, 2000'
_computing_publication_material  'Bruker SHELXTL V6.10, 2000'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.643
_diffrn_measured_fraction_theta_max 0.643
_diffrn_measurement_device_type  'Bruker APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0353
_diffrn_reflns_av_sigmaI/netI    0.0291
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            33312
_diffrn_reflns_theta_full        32.80
_diffrn_reflns_theta_max         32.80
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    0.681
_exptl_absorpt_correction_T_max  0.8015
_exptl_absorpt_correction_T_min  0.7723
_exptl_absorpt_correction_type   'Bruker SADABS V2.05'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.34
_refine_diff_density_max         0.817
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         7029
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.155
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0682
_refine_ls_shift/su_max          0.119
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0797P)^2^+1.8185P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1586
_refine_ls_wR_factor_ref         0.1643
_reflns_number_gt                6269
_reflns_number_total             7029
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8004004_si_002.cif
_cod_data_source_block           165mk1m
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4071806