[{(C~5~Me~4~H)Fe(C~5~Me~4~)CH~2~C~5~H~4~}~2~Fe]^2+^.[C~2~(CN)~4~]^{-^}.[C~3~(CN)~5~]^{-^}
Barlow, S.; O'Hare, D.; Acta Crystallographica Section C 52 (1996) 578–581; doi:10.1107/S010827019500984X

data_2004643
_publ_section_title
'[{(C~5~Me~4~H)Fe(C~5~Me~4~)CH~2~C~5~H~4~}~2~Fe]^2+^.[C~2~(CN)~4~]^{-^}.[C~3~(CN)~5~]^{-^}'
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              578
_journal_page_last               581
_journal_paper_doi               10.1107/S010827019500984X
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Fe (C24 H31 Fe)2] (C6 N4) (C8 N5)'
_chemical_formula_moiety         '[Fe3 C48 H62] 2+ [C6 N4] - [C8 N5] -'
_chemical_formula_structural
(((FeC18H25)CH2C5H4)2Fe)2+,(C2(CN)4)-,(C3(CN)5)-
_chemical_formula_sum            'C62 H62 Fe3 N9'
_chemical_formula_weight         1100.77
_chemical_name_systematic
;
1,1'-bis(octamethylferrocenium-yl)methyl ferrocene tetracyanoethenide
pentacyanopropenide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                100.160(6)
_cell_angle_beta                 97.712(9)
_cell_angle_gamma                104.641(7)
_cell_formula_units_Z            2
_cell_length_a                   13.866(2)
_cell_length_b                   14.0228(8)
_cell_length_c                   15.3160(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      13.7
_cell_measurement_theta_min      6.1
_cell_volume                     2785.7(5)
_computing_cell_refinement       'CAD-4 software'
_computing_data_collection       'CAD-4 software (Enraf Nonius, 1987)'
_computing_data_reduction
'CRYSTALS (Watkins, Carruthers & Betteridge, 1975)'
_computing_molecular_graphics    'CAMERON (Pearce & Watkin, 1993)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         xray_tube
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.015
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            9851
_diffrn_reflns_theta_max         24
_diffrn_reflns_theta_min         0
_diffrn_standards_decay_%        17.5
_diffrn_standards_interval_time  360
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.82
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.47
_exptl_absorpt_correction_type   'DIFABS (Walker & Stuart 1983)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_description       plate
_exptl_crystal_F_000             1150
_exptl_crystal_size_max          0.96
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.15
_refine_diff_density_max         .48
_refine_diff_density_min         -.40
_refine_ls_extinction_coef       13(5)
_refine_ls_extinction_method     'Larson (Larson, 1967)'
_refine_ls_goodness_of_fit_obs   1.129
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     668
_refine_ls_number_reflns         4869
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.051
_refine_ls_shift/esd_max         0.072
_refine_ls_shift/esd_mean        0.0085
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
'weights: Chebyshev polynomial (Carruthers & Watkin, 1975)'
_refine_ls_wR_factor_obs         0.060
_reflns_number_observed          4869
_reflns_number_total             8698
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1195.cif
_cod_data_source_block           FCT
_cod_original_cell_volume        2785.8(5)
_cod_original_formula_sum        'Fe3 C62 H62 N9'
_cod_database_code               2004643