Novel Heterobimetallic Metallamacrocycles Based on the 1,1‘-Bis(1,8-naphthyrid-2-yl)ferrocene (FcNP2) Ligand: Structural Characterization of the Complexes [{M(FcNP2)}2]2+(M = CuI, AgI) and {MCl2(FcNP2)}4(M = ZnII, CoII)
Sadhukhan, Nabanita; Patra, Sanjib K.; Sana, Kasinath; Bera, Jitendra K.; Organometallics 25 (2006) 2914–; doi:10.1021/om060252u

data_4075367
_publ_section_title
;
 Novel Heterobimetallic Metallamacrocycles Based on the
 1,1&#x2018;-Bis(1,8-naphthyrid-2-yl)ferrocene (FcNP2) Ligand:&#x00A0;
 Structural Characterization of the Complexes [{M(FcNP2)}2]2+(M = CuI,
 AgI) and {MCl2(FcNP2)}4(M = ZnII, CoII)
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2914
_journal_paper_doi               10.1021/om060252u
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C112 H84 Cl8 Fe4 N20 Zn4'
_chemical_formula_weight         2478.47
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   21.268(5)
_cell_length_b                   21.268(5)
_cell_length_c                   11.459(5)
_cell_measurement_temperature    100(2)
_cell_volume                     5183(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0519
_diffrn_reflns_av_sigmaI/netI    0.0779
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17275
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    1.719
_exptl_absorpt_correction_T_max  0.7249
_exptl_absorpt_correction_T_min  0.6265
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2512
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.848
_refine_diff_density_min         -0.416
_refine_diff_density_rms         0.114
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.021(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         6373
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0542
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0462P)^2^+2.8358P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1037
_refine_ls_wR_factor_ref         0.1181
_reflns_number_gt                5134
_reflns_number_total             6373
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060252usi20060321_032317.cif
_cod_data_source_block           compound3
_cod_database_code               4075367