Polymeric networks of copper(II) using succinate and aromatic N-N donor ligands: synthesis, crystal structure, magnetic behaviour and the effect of weak interactions on their crystal packing.
Ghoshal, Debajyoti; Maji, Tapas Kumar; Mostafa, Golam; Sain, Saugata; Lu, Tian-Huey; Ribas, Joan; Zangrando, Ennio; Chaudhuri, Nirmalendu Ray; Dalton transactions (Cambridge, England : 2003)  (2004) 1687–1695; doi:10.1039/b401738b

data_7014126
_publ_section_title
;
 Polymeric networks of copper(II) using succinate and aromatic N-N
 donor ligands: synthesis, crystal structure, magnetic behaviour and
 the effect of weak interactions on their crystal packing.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1687
_journal_page_last               1695
_journal_paper_doi               10.1039/b401738b
_journal_year                    2004
_chemical_formula_moiety
'2(CU (N2 C10 H8)) (C4 H4 O4 2-) 2(Cl O4 1-)  1.5(O H2)'
_chemical_formula_sum            'C24 H23 Cl2 Cu2 N4 O13.5'
_chemical_formula_weight         781.44
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 108.46(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.947(4)
_cell_length_b                   12.566(3)
_cell_length_c                   14.539(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2936.9(13)
_computing_cell_refinement       'Mosflm (Acta Cryst. D50, 760, 1994)'
_computing_data_collection       'Nonius xpress'
_computing_data_reduction        'Mosflm (Acta Cryst. D50, 760, 1994)'
_computing_molecular_graphics    'Ortep3/windows (Farrugia,1997)'
_computing_publication_material  'Wingx 1.64.02 (Farrugia, 1999)'
_computing_structure_refinement  'Shelxl-97 (Sheldrick, 1997)'
_computing_structure_solution    'Shelxs-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'image plate dip1030'
_diffrn_measurement_method       'laser scanner'
_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  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0590
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11307
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    1.706
_exptl_absorpt_correction_T_max  0.6826
_exptl_absorpt_correction_T_min  0.4085
_exptl_absorpt_correction_type   refdelf
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.767
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1580
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.600
_refine_diff_density_min         -0.723
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         5769
_refine_ls_number_restraints     116
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0779
_refine_ls_R_factor_gt           0.0542
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0884P)^2^+1.6214P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1465
_refine_ls_wR_factor_ref         0.1608
_reflns_number_gt                3901
_reflns_number_total             5769
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b401738b.txt
_cod_data_source_block           complex3
_cod_original_cell_volume        2936.8(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C24 H23 Cl2 Cu2 N4 O13.50'
_cod_database_code               7014126