A porous metal-organic framework (MOF) with unusual 2D→3D polycatenation based on honeycomb layers.
Zhao, Xiaoliang; Dou, Jianmin; Sun, Di; Cui, Peipei; Sun, Daofeng; Wu, Qingyin; Dalton transactions (Cambridge, England : 2003) 41 (2012) 1928–1930; doi:10.1039/c2dt11898j

data_7018054
_publ_section_title
;
 A porous metal-organic framework (MOF) with unusual 2D\\rightarrow 3D
 polycatenation based on honeycomb layers.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1928
_journal_page_last               1930
_journal_paper_doi               10.1039/c2dt11898j
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C35 H13.75 N O7 Zn2'
_chemical_formula_weight         690.96
_chemical_name_systematic
;
?
;
_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                 116.017(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.854(6)
_cell_length_b                   17.042(4)
_cell_length_c                   20.656(4)
_cell_measurement_temperature    298(2)
_cell_volume                     8812(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0851
_diffrn_reflns_av_sigmaI/netI    0.1044
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14611
_diffrn_reflns_theta_full        20.89
_diffrn_reflns_theta_max         20.89
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    1.124
_exptl_absorpt_correction_T_max  0.9155
_exptl_absorpt_correction_T_min  0.8959
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.042
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2774
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.945
_refine_diff_density_min         -0.416
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.883
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         4621
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.883
_refine_ls_R_factor_all          0.1271
_refine_ls_R_factor_gt           0.0763
_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^)+(0.1389P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2064
_refine_ls_wR_factor_ref         0.2286
_reflns_number_gt                2260
_reflns_number_total             4621
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11898j.txt
_cod_data_source_block           squeezed1
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7018054