Controllable Porosity Conversion of Metal-Organic Frameworks Composed of Natural Ingredients for Drug Delivery
Lan, Ya-Qian; Liu, Jiang; Bao, Tian-Yi; Yang, Xi-Ya; Zhu, Pei-Pei; Wu, Lianhe; Sha, JingQuan; Zhang, Lei; Dong, Long-Zhang; Cao, Xue-Li; Chem. Commun.  (2017) –; doi:10.1039/C7CC03673F

data_7120288
_publ_section_title
;
 Controllable Porosity Conversion of Metal-Organic Frameworks Composed of
 Natural Ingredients for Drug Delivery
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC03673F
_journal_year                    2017
_chemical_formula_sum            'C37.5 H37.5 Na7.5 O37.5'
_chemical_formula_weight         1260.60
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/cc1j4x6s
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-06-04 deposited with the CCDC.
2017-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   10.353(5)
_cell_length_b                   19.678(5)
_cell_length_c                   29.790(5)
_cell_measurement_temperature    293(2)
_cell_volume                     6069(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_av_sigmaI/netI    0.0636
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            17061
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.37
_exptl_absorpt_coefficient_mu    0.168
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2580
_refine_diff_density_max         1.818
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.130
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -1.4(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     724
_refine_ls_number_reflns         9649
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.1153
_refine_ls_R_factor_gt           0.0961
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1885P)^2^+10.2088P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2667
_refine_ls_wR_factor_ref         0.2870
_reflns_number_gt                7713
_reflns_number_total             9649
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7cc03673f2.cif
_cod_data_source_block           lee
_cod_original_formula_sum        'C37.50 H37.50 Na7.50 O37.50'
_cod_database_code               7120288