Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.
Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo; Dalton transactions (Cambridge, England : 2003)  (2006) 693–704; doi:10.1039/b511286a

data_7006470
_publ_section_title
;
 Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination
 polymers and bridged diferrocenes.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              693
_journal_page_last               704
_journal_paper_doi               10.1039/b511286a
_journal_year                    2006
_chemical_formula_moiety         'C54 H42 Cu4 Fe3 I4 N12 '
_chemical_formula_sum            'C54 H42 Cu4 Fe3 I4 N12'
_chemical_formula_weight         1788.35
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.94(3)
_cell_angle_beta                 101.77(3)
_cell_angle_gamma                113.09(5)
_cell_formula_units_Z            1
_cell_length_a                   13.156(7)
_cell_length_b                   15.380(9)
_cell_length_c                   7.529(2)
_cell_measurement_temperature    296.1
_cell_volume                     1353.1(13)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 1.0003
_diffrn_measured_fraction_theta_max 1.0003
_diffrn_measurement_device_type  'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6475
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        1.87
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.656
_exptl_absorpt_correction_T_max  0.394
_exptl_absorpt_correction_T_min  0.394
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            Plate
_exptl_crystal_density_diffrn    2.195
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       orange
_exptl_crystal_F_000             856.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         -0.07
_refine_diff_density_min         -0.07
_refine_ls_extinction_coef       146(20)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     371
_refine_ls_number_reflns         4230
_refine_ls_R_factor_gt           0.0915
_refine_ls_shift/su_max          0.0034
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0103Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2191
_reflns_number_gt                4227
_reflns_number_total             6476
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b511286a.txt
_cod_data_source_block           4
_cod_original_cell_volume        1353.1(11)
_cod_original_formula_sum        'C54 H42 Cu4 Fe3 I4 N12 '
_cod_database_code               7006470