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_4071805
_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            'C51 H51 Fe2 P2 Si'
_chemical_formula_weight         865.65
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                77.5740(10)
_cell_angle_beta                 80.2480(10)
_cell_angle_gamma                76.3780(10)
_cell_formula_units_Z            2
_cell_length_a                   10.1001(7)
_cell_length_b                   14.4739(9)
_cell_length_c                   15.7609(11)
_cell_measurement_reflns_used    98
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3
_cell_volume                     2169.6(3)
_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 V6.1012, 2000'
_computing_publication_material  'Bruker SHELXTL V6.1012, 2000'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.897
_diffrn_measured_fraction_theta_max 0.897
_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  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0521
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13475
_diffrn_reflns_theta_full        27.92
_diffrn_reflns_theta_max         27.92
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    0.805
_exptl_absorpt_correction_T_max  0.8821
_exptl_absorpt_correction_T_min  0.8556
_exptl_absorpt_correction_type   'Bruker SADABS V2.05'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             906
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.534
_refine_diff_density_min         -0.324
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     507
_refine_ls_number_reflns         9341
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0416P)^2^+2.1491P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1068
_refine_ls_wR_factor_ref         0.1112
_reflns_number_gt                8247
_reflns_number_total             9341
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8004004_si_001.cif
_cod_data_source_block           c:\frames\128mk\work\128mk1m
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4071805