Honeycomb Nets with Interpenetrating Frameworks Involving Iminodiacetato-Copper(II) Blocks and Bipyridine Spacers: Syntheses, Characterization, and Magnetic Studies
Suman Mukhopadhyay; Pabitra Baran Chatterjee; Debdas Mandal; Golam Mostafa; Andrea Caneschi; Joris van Slageren; Timothy J. R. Weakley; Muktimoy Chaudhury; Inorganic Chemistry 43 (2004) 3413–3420; doi:10.1021/ic035422z

data_4311057
_publ_section_title
;
 Honeycomb Nets with Interpenetrating Frameworks Involving
 Iminodiacetato-Copper(II) Blocks and Bipyridine Spacers: Syntheses,
 Characterization, and Magnetic Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3413
_journal_page_last               3420
_journal_paper_doi               10.1021/ic035422z
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C14 H14 Cl Cu N3 O8'
_chemical_formula_weight         451.27
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_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            4
_cell_length_a                   13.8956(12)
_cell_length_b                   16.3362(16)
_cell_length_c                   7.3340(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1664.8(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0029
_diffrn_reflns_av_sigmaI/netI    0.0356
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            1678
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    1.525
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             916
_refine_diff_density_max         0.878
_refine_diff_density_min         -0.969
_refine_diff_density_rms         0.127
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         1589
_refine_ls_number_restraints     83
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0756
_refine_ls_R_factor_gt           0.0576
_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^)+(0.0613P)^2^+11.1713P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1411
_refine_ls_wR_factor_ref         0.1565
_reflns_number_gt                1320
_reflns_number_total             1589
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic035422zsi20031211_100815_1.cif
_cod_data_source_block           Compound1
_cod_original_sg_symbol_H-M      'P n c 21'
_cod_database_code               4311057