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_7050533
_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_moiety         'C14 H12 Cu Fe I N2 '
_chemical_formula_sum            'C14 H12 Cu Fe I N2'
_chemical_formula_weight         454.56
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Sat Jun 29 15:03:17 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 112.54(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.515(2)
_cell_length_b                   9.537(2)
_cell_length_c                   12.683(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.7
_cell_volume                     1398.2(4)
_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 0.9997
_diffrn_measured_fraction_theta_max 0.9997
_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  0.014
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            3559
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        0.24
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.751
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.482
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            ogange
_exptl_crystal_density_diffrn    2.159
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.52
_refine_diff_density_min         -1.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     172
_refine_ls_number_reflns         2684
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.0029
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.07500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0974
_reflns_number_gt                2684
_reflns_number_total             3213
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b212518h.txt
_cod_data_source_block           compound_2a
_cod_original_cell_volume        1398.1(4)
_cod_original_formula_sum        'C14 H12 Cu Fe I N2 '
_cod_database_code               7050533