Stabilization of the 2D inclined interpenetrated net of {[Co(bpe)(tp)(H2O)2]n by replacement of lattice water molecules with appropriate solvent
Manna, Subal Chandra; Okamoto, Ken-ichi; Zangrando, Ennio; Chaudhuri, Nirmalendu Ray; CrystEngComm 9 (2007) 199–; doi:10.1039/b617277f

data_7202626
_publ_section_title
;
 Stabilization of the 2D inclined interpenetrated net of
 {[Co(bpe)(tp)(H2O)2]n by replacement of lattice water molecules with
 appropriate solvent
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              199
_journal_paper_doi               10.1039/b617277f
_journal_volume                  9
_journal_year                    2007
_chemical_formula_moiety         'C20 H20 Co N2 O6, C2 H6 O2'
_chemical_formula_sum            'C22 H26 Co N2 O8'
_chemical_formula_weight         505.38
_chemical_name_common
;
terephthalato-bisaquo-1,2-bis(4-pyridyl)ethane-cobalt(ii)
glycolethylene solvated
;
_chemical_name_systematic
;
terephthalato-bisaquo-1,2-bis(4-pyridyl)ethane-cobalt(II)
glycolethylene solvated
;
_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                 110.79(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.887(4)
_cell_length_b                   10.574(4)
_cell_length_c                   11.876(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2334.7(12)
_computing_cell_refinement       'Denzo-Scalepack (Macromol. Crystall., 1997)'
_computing_data_collection       'Nonius Xpress'
_computing_data_reduction        'Denzo-Scalepack (Macromol. Crystall., 1997)'
_computing_molecular_graphics    'Ortep3/windows (Farrugia,1997)'
_computing_publication_material  'Wingx 1.64.05 (Farrugia, 1999)'
_computing_structure_refinement  'SHELX97 (Sheldrick, 1998)'
_computing_structure_solution    'SHELX97 (Sheldrick, 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_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  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9500
_diffrn_reflns_theta_full        29.60
_diffrn_reflns_theta_max         29.60
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    0.784
_exptl_absorpt_correction_T_max  0.7775
_exptl_absorpt_correction_T_min  0.6571
_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            orange-pink
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1052
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.365
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     157
_refine_ls_number_reflns         3196
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0659
_refine_ls_R_factor_gt           0.0417
_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^)+(0.0657P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1133
_refine_ls_wR_factor_ref         0.1228
_reflns_number_gt                2071
_reflns_number_total             3196
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b617277f.txt
_cod_data_source_block           Complex_2
_cod_original_cell_volume        2334.8(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7202626