Novel hetero-bimetallic metalla-macrocycles based on the bis-1-pyridyl ferrocene [Fe(η5-C5H4-1-C5H4N)2] ligand. Design, synthesis and structural characterization of the complexes [Fe(η5-C5H4-1-C5H4N)2](Agi)22+/(Cuii)24+/(Znii)24+
Braga, Dario; Polito, Marco; Bracaccini, Marco; D'Addario, Daniela; Tagliavini, Emilio; Proserpio, Davide M.; Grepioni, Fabrizia; Chemical Communications  (2002) 1080–; doi:10.1039/b200344a

data_7114224
_publ_section_title
;
 Novel hetero-bimetallic metalla-macrocycles based on the bis-1-pyridyl
 ferrocene [Fe(\h5-C5H4-1-C5H4N)2] ligand. Design, synthesis and
 structural characterization of the complexes
 [Fe(\h5-C5H4-1-C5H4N)2](Agi)22+/(Cuii)24+/(Znii)24+
;
_journal_issue                   10
_journal_name_full               'Chemical Communications'
_journal_page_first              1080
_journal_paper_doi               10.1039/b200344a
_journal_year                    2002
_chemical_formula_sum            'C48 H50 Cu2 Fe2 N4 O11'
_chemical_formula_weight         1097.70
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                85.162(2)
_cell_angle_beta                 90.241(2)
_cell_angle_gamma                75.431(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9155(7)
_cell_length_b                   11.5519(7)
_cell_length_c                   23.424(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2586.6(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.903
_diffrn_measured_fraction_theta_max 0.903
_diffrn_measurement_device_type  'Bruker Smart CCD'
_diffrn_measurement_method       '\w scans'
_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  0.1232
_diffrn_reflns_av_sigmaI/netI    0.0882
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            19143
_diffrn_reflns_theta_full        34.16
_diffrn_reflns_theta_max         34.16
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    1.420
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.64
_exptl_absorpt_correction_type   'Bruker Smart'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1128
_refine_diff_density_max         1.063
_refine_diff_density_min         -0.786
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         18329
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0997
_refine_ls_R_factor_gt           0.0996
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1617P)^2^+68.2627P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2375
_refine_ls_wR_factor_ref         0.2375
_reflns_number_gt                2463
_reflns_number_total             18329
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b200344a.txt
_cod_data_source_block           1cu
_cod_original_cell_volume        2586.7(3)
_cod_database_code               7114224