Coordination polymer based on Cu(ii), Co(ii) and 4,4′-bipyridine-2,6,2′,6′-tetracarboxylate: synthesis, structure and adsorption properties
Zhao, Zhou; He, Xiang; Zhao, Yongmei; Shao, Min; Zhu, Shourong; Dalton Transactions  (2009) 2802–2811; doi:10.1039/b813167h

data_7000946
_publ_section_title
;
 Coordination polymer based on Cu(ii), Co(ii) and
 4,4&#x2032;-bipyridine-2,6,2&#x2032;,6&#x2032;-tetracarboxylate:
 synthesis, structure and adsorption properties
;
_journal_issue                   15
_journal_name_full               'Dalton Transactions'
_journal_page_first              2802
_journal_page_last               2811
_journal_paper_doi               10.1039/b813167h
_journal_year                    2009
_chemical_formula_sum            'C28 H40 Co4 N4 O26'
_chemical_formula_weight         1084.36
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 100.519(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.170(7)
_cell_length_b                   10.833(5)
_cell_length_c                   14.400(7)
_cell_measurement_reflns_used    2840
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.82
_cell_measurement_theta_min      2.37
_cell_volume                     2173.3(18)
_computing_cell_refinement       'Saint (Bruker, 2000)'
_computing_data_collection       'Smart apex (Bruker, 2000)'
_computing_data_reduction        'Saint (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       \w
_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  0.0562
_diffrn_reflns_av_sigmaI/netI    0.1333
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12926
_diffrn_reflns_theta_full        27.65
_diffrn_reflns_theta_max         27.65
_diffrn_reflns_theta_min         2.37
_exptl_absorpt_coefficient_mu    1.593
_exptl_absorpt_correction_T_max  0.9762
_exptl_absorpt_correction_T_min  0.9532
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.700
_refine_diff_density_min         -0.878
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         4932
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.943
_refine_ls_R_factor_all          0.1041
_refine_ls_R_factor_gt           0.0796
_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^)+(0.1200P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2163
_refine_ls_wR_factor_ref         0.2276
_reflns_number_gt                2905
_reflns_number_total             4932
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b813167h.txt
_cod_data_source_block           c
_cod_original_cell_volume        2173.2(18)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7000946