Side-chain coordination polymers containing redox-active pendants: complexation of ferrocene-based bidentate ligands with M(hfac)2 (hfac?=?1,1,1,5,5,5-hexafluoroacetylacetonate, M?=?Mn, Ni, Cu, Zn) and CuX (X?=?I, Br)
Horikoshi, Ryo; Ueda, Mikio; Mochida, Tomoyuki; New Journal of Chemistry 27 (2003) 933–; doi:10.1039/b212518h

data_7050532
_publ_section_title
;
 Side-chain coordination polymers containing redox-active pendants:
 complexation of ferrocene-based bidentate ligands with M(hfac)2
 (hfac?=?1,1,1,5,5,5-hexafluoroacetylacetonate, M?=?Mn, Ni, Cu, Zn) and
 CuX (X?=?I, Br)
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              933
_journal_paper_doi               10.1039/b212518h
_journal_volume                  27
_journal_year                    2003
_chemical_formula_sum            'C24 H14 Cu F12 Fe N2 O4'
_chemical_formula_weight         741.76
_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'
_audit_creation_date             'Mon Jun 24 20:15:27 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90.70(4)
_cell_angle_beta                 90.22(5)
_cell_angle_gamma                112.06(3)
_cell_formula_units_Z            2
_cell_length_a                   11.437(6)
_cell_length_b                   12.002(4)
_cell_length_c                   10.862(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.8
_cell_volume                     1381.7(13)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 1.0009
_diffrn_measured_fraction_theta_max 1.0009
_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  0.016
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6649
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.83
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.410
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.42
_refine_diff_density_min         -0.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     400
_refine_ls_number_reflns         4559
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          0.0021
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.12500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1457
_reflns_number_gt                4559
_reflns_number_total             6330
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b212518h.txt
_cod_data_source_block           compound_1c
_cod_original_cell_volume        1381(1)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C24 H14 Cu F12 Fe N2 O4 '
_cod_database_code               7050532