A fivefold linker length reduction in an interpenetrated metal-organic framework via sequential solvent-assisted linker exchange.
Cao, Li-Hui; Liu, Xin; Tang, Xiao-Han; Liu, Junyi; Xu, Xiao-Qian; Zang, Shuang-Quan; Ma, Yang-Min; Chemical communications (Cambridge, England) 55 (2019) 12671–12674; doi:10.1039/c9cc06739f

data_7125416
_publ_section_title
;
 A fivefold linker length reduction in an interpenetrated metal-organic
 framework via sequential solvent-assisted linker exchange.
;
_journal_issue                   84
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              12671
_journal_page_last               12674
_journal_paper_doi               10.1039/c9cc06739f
_journal_volume                  55
_journal_year                    2019
_chemical_formula_moiety         'C78 H42 N4 O16 Zn3'
_chemical_formula_sum            'C78 H42 N4 O16 Zn3'
_chemical_formula_weight         1487.26
_space_group_crystal_system      orthorhombic
_space_group_IT_number           50
_space_group_name_Hall           '-P 2ab 2b'
_space_group_name_H-M_alt        'P b a n :2'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-04-26 deposited with the CCDC.	2019-09-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   27.9512(8)
_cell_length_b                   32.0897(8)
_cell_length_c                   25.2538(6)
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    101(2)
_cell_measurement_theta_max      22.84
_cell_measurement_theta_min      2.54
_cell_volume                     22651.3(10)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      101(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71076
_diffrn_reflns_av_R_equivalents  0.2014
_diffrn_reflns_av_unetI/netI     0.1021
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            184845
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.420
_exptl_absorpt_coefficient_mu    0.675
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6841
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    0.872
_exptl_crystal_description       block
_exptl_crystal_F_000             6048
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.452
_refine_diff_density_min         -0.584
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     910
_refine_ls_number_reflns         19943
_refine_ls_number_restraints     62
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.1192
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0700P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1376
_refine_ls_wR_factor_ref         0.1500
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11328
_reflns_number_total             19943
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc06739f2.cif
_cod_data_source_block           Zn-DPNDI
_cod_original_sg_symbol_H-M      'P b a n'
_cod_database_code               7125416
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.860
_shelx_estimated_absorpt_t_max   0.906
_shelx_res_checksum              6642
_shelx_fab_checksum              27017