Mixed Valence Properties in Ferrocenyl-Based Bimetallic FeCp−Indenyl−MLnComplexes: Effect of the MLnGroup
Santi, Saverio; Durante, Christian; Donoli, Alessandro; Bisello, Annalisa; Orian, Laura; Ceccon, Alberto; Crociani, Laura; Benetollo, Franco; Organometallics 28 (2009) 3319–; doi:10.1021/om800954b

data_4068573
_publ_section_title
;
 Mixed Valence Properties in Ferrocenyl-Based Bimetallic
 FeCp&#x2212;Indenyl&#x2212;MLnComplexes: Effect of the MLnGroup
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              3319
_journal_paper_doi               10.1021/om800954b
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C22 H15 Fe Mn O3'
_chemical_formula_weight         438.13
_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                 100.87(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.192(3)
_cell_length_b                   8.945(2)
_cell_length_c                   20.796(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1861.9(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.913
_diffrn_measured_fraction_theta_max 0.913
_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  0.0091
_diffrn_reflns_av_sigmaI/netI    0.0211
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4214
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    1.476
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             888
_refine_diff_density_max         0.321
_refine_diff_density_min         -0.260
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.270
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         4106
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.270
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0424
_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^)+(0.0001P)^2^+2.2071P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0933
_reflns_number_gt                3979
_reflns_number_total             4106
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800954b_si_002.cif
_cod_data_source_block           mn-fe
_cod_original_cell_volume        1861.9(7)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4068573