Cobalt(II)-(dpyo)-dicarboxylate networks: unique H-bonded assembly and rare bridging mode of dpyo in one of them [dpyo = 4,4'-dipyridyl N,N'-dioxide].
Manna, Subal Chandra; Zangrando, Ennio; Ribas, Joan; Ray Chaudhuri, Nirmalendu; Dalton transactions (Cambridge, England : 2003)  (2007) 1383–1391; doi:10.1039/b617278d

data_7005160
_publ_section_title
;
 Cobalt(II)-(dpyo)-dicarboxylate networks: unique H-bonded assembly and
 rare bridging mode of dpyo in one of them [dpyo = 4,4'-dipyridyl
 N,N'-dioxide].
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1383
_journal_page_last               1391
_journal_paper_doi               10.1039/b617278d
_journal_year                    2007
_chemical_formula_moiety
'C18 H16 Co N2 O8, (Co H12 O6 2+), (C8 H4 O4 2-), H2 O'
_chemical_formula_sum            'C26 H34 Co2 N2 O19'
_chemical_formula_weight         796.41
_chemical_name_common
;
catena-(mu-terephthalato)-(4,4'dipirydine-N,N'oxide)-
bis(aquo)cobalt(ii) hexa(aquo)cobalt(ii) terephthalate hydrate
;
_chemical_name_systematic
;
catena-(mu-terephthalato)-(4,4'dipirydine-N,N'oxide)-bis(aquo)cobalt(II)
hexa(aquo)cobalt(II) terephthalate hydrate
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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                 111.043(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.885(2)
_cell_length_b                   45.200(9)
_cell_length_c                   7.484(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3120.9(12)
_computing_cell_refinement       'Denzo (Otwinowski & Minor 1997)'
_computing_data_collection       'Nonius Xpress'
_computing_data_reduction
'Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep3/windows (Farrugia,1997)'
_computing_publication_material  'Wingx 1.70.00 (Farrugia, 1999)'
_computing_structure_refinement  'SHELX97 (Sheldrick, 1998)'
_computing_structure_solution    'SHELX97 (Sheldrick, 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.889
_diffrn_measured_fraction_theta_max 0.889
_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  0.0458
_diffrn_reflns_av_sigmaI/netI    0.0710
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       62
_diffrn_reflns_limit_k_min       -62
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            17853
_diffrn_reflns_theta_full        29.63
_diffrn_reflns_theta_max         29.63
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    1.153
_exptl_absorpt_correction_T_max  0.8622
_exptl_absorpt_correction_T_min  0.7410
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56
Cubic fit to sin(theta)/lambda - 24 parameters
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1640
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.707
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.065
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.038(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.932
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         7134
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      0.931
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0417
_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^)+(0.0421P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0932
_refine_ls_wR_factor_ref         0.0992
_reflns_number_gt                5235
_reflns_number_total             7134
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b617278d.txt
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7005160