A Novel Bilayer Cobalt(II)-Organic Framework with Nanoscale Channels Accommodating Large Organic Molecules
Junhua Luo; Maochun Hong; Ruihu Wang; Rong Cao; Lei Han; Daqiang Yuan; Zhenzhong Lin; Youfu Zhou; Inorganic Chemistry 42 (2003) 4486–4488; doi:10.1021/ic034064x

data_4313907
_publ_section_title
;
 A Novel Bilayer Cobalt(II)-Organic Framework with Nanoscale Channels
 Accommodating Large Organic Molecules
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4486
_journal_page_last               4488
_journal_paper_doi               10.1021/ic034064x
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C26 H20 Co N4 O7'
_chemical_formula_weight         559.39
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.26(3)
_cell_angle_beta                 108.60(3)
_cell_angle_gamma                101.28(3)
_cell_formula_units_Z            2
_cell_length_a                   9.6477(19)
_cell_length_b                   10.153(2)
_cell_length_c                   13.674(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1214.0(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0446
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5538
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    0.762
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             574
_refine_diff_density_max         1.151
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5538
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.0581
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.540
_refine_ls_shift/su_mean         0.018
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0675P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0930
_refine_ls_wR_factor_ref         0.1042
_reflns_number_gt                4236
_reflns_number_total             5538
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034064xsi20030121_100625.cif
_cod_data_source_block           b
_cod_original_cell_volume        1213.9(4)
_cod_database_code               4313907