[Ni(cyclam)(μ1,3-dca)2Cu(μ1,5-dca)2]: A Genuine 3D Bimetallic Coordination Polymer Containing Both μ1,3- and μ1,5-Bidentate Dicyanamide Bridges and a Ferromagnetic Interaction between Copper(II) and Nickel(II) Ions
Enrique Colacio; Ikram Ben Maimoun; Francesc Lloret; José Suárez-Varela; Inorganic Chemistry 44 (2005) 3771–3773; doi:10.1021/ic050369v

data_4308942
_publ_section_title
;
[Ni(cyclam)(\m1,3-dca)2Cu(\m1,5-dca)2]: A Genuine 3D Bimetallic
Coordination Polymer Containing Both \m1,3- and \m1,5-Bidentate Dicyanamide
Bridges and a Ferromagnetic Interaction between Copper(II) and Nickel(II)
Ions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3771
_journal_page_last               3773
_journal_paper_doi               10.1021/ic050369v
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C18 H24 Cu N16 Ni'
_chemical_formula_weight         586.78
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 102.151(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2128(16)
_cell_length_b                   13.145(2)
_cell_length_c                   18.350(3)
_cell_measurement_reflns_used    3314
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.51
_cell_measurement_theta_min      2.56
_cell_volume                     2408.2(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'WINGX v. 1.64'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.922
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0192
_diffrn_reflns_av_sigmaI/netI    0.0243
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            7500
_diffrn_reflns_theta_full        28.17
_diffrn_reflns_theta_max         28.17
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    1.708
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.848
_exptl_absorpt_correction_type   'empirical (Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             1204
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.302
_refine_diff_density_min         -0.328
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     213
_refine_ls_number_reflns         2728
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0306
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0331P)^2^+2.1637P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0689
_refine_ls_wR_factor_ref         0.0714
_reflns_number_gt                2399
_reflns_number_total             2728
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050369vsi20050310_085419.cif
_cod_data_source_block           1
_cod_database_code               4308942