Anion-tuned sorption and catalytic properties of a soft metal‒organic solid with polycatenated frameworks
Wang, Sujuan; Li, Lei; Zhang, Jianyong; Yuan, Xiaochen; Su, Cheng-Yong; Journal of Materials Chemistry 21 (2011) 7098–; doi:10.1039/c1jm10394f

data_7206061
_publ_section_title
;
 Anion-tuned sorption and catalytic properties of a soft metal--organic
 solid with polycatenated frameworks
;
_journal_issue                   20
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              7098
_journal_paper_doi               10.1039/c1jm10394f
_journal_volume                  21
_journal_year                    2011
_chemical_formula_sum            'C24 H36 Cu F6 N4 O10 Si'
_chemical_formula_weight         746.20
_chemical_name_systematic
;
?
;
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.5377(2)
_cell_length_b                   13.5377(2)
_cell_length_c                   18.3726(5)
_cell_measurement_temperature    150(2)
_cell_volume                     3367.13(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  Germini
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            4693
_diffrn_reflns_theta_full        62.62
_diffrn_reflns_theta_max         62.62
_diffrn_reflns_theta_min         6.54
_exptl_absorpt_coefficient_mu    2.060
_exptl_absorpt_correction_T_max  0.7267
_exptl_absorpt_correction_T_min  0.6178
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1540
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.005
_refine_diff_density_min         -1.299
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     135
_refine_ls_number_reflns         1340
_refine_ls_number_restraints     80
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.1167
_refine_ls_R_factor_gt           0.0989
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0910P)^2^+24.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2311
_refine_ls_wR_factor_ref         0.2419
_reflns_number_gt                992
_reflns_number_total             1340
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1jm10394f.txt
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      P4/ncc
_cod_database_code               7206061