Synthesis and characterization of new heterometallic cyanido complexes based on [Co(CN)6]3−building blocks: crystal structure of [Cu2(N-bishydeten)2Co(CN)6]·3H2O having a strong antiferromagnetic exchange
Korkmaz, Şengül Aslan; Karadağ, Ahmet; Yerli, Yusuf; Soylu, Mustafa Serkan; New J. Chem. 38 (2014) 5402–; doi:10.1039/C4NJ00737A

data_7054373
_publ_section_title
;
 Synthesis and characterization of new heterometallic cyanido complexes
 based on [Co(CN)6]3&#x2212;building blocks: crystal structure of
 [Cu2(N-bishydeten)2Co(CN)6]&#x00B7;3H2O having a strong antiferromagnetic
 exchange
;
_journal_issue                   11
_journal_name_full               'New J. Chem.'
_journal_page_first              5402
_journal_paper_doi               10.1039/C4NJ00737A
_journal_volume                  38
_journal_year                    2014
_chemical_formula_sum            'C18 H37 Co Cu2 N10 O7'
_chemical_formula_weight         691.59
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 116.179(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2863(4)
_cell_length_b                   20.6105(10)
_cell_length_c                   16.7211(7)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.32
_cell_measurement_theta_min      1.68
_cell_volume                     2872.0(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  STOE
_diffrn_measurement_method       rotation
_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  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14715
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    2.092
_exptl_absorpt_correction_T_max  0.4977
_exptl_absorpt_process_details   0.6313
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.470
_exptl_crystal_size_mid          0.340
_exptl_crystal_size_min          0.270
_refine_diff_density_max         0.359
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         5606
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0449P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0768
_reflns_number_gt                4667
_reflns_number_total             5606
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4nj00737a1.cif
_cod_data_source_block           akara12
_cod_depositor_comments          'Adding full bibliography for 7054373.cif.'
_cod_database_code               7054373