Pore space partition of a fragile Ag(i)-carboxylate framework via post-synthetic linker insertion.
Kim, Dongwook; Seong, Junmo; Han, Seungwan; Baek, Seung Bin; Lah, Myoung Soo; Chemical communications (Cambridge, England) 56 (2020) 8615–8618; doi:10.1039/d0cc03472j

data_7126734
_publ_section_title
;
 Pore space partition of a fragile Ag(i)-carboxylate framework via
 post-synthetic linker insertion.
;
_journal_issue                   61
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8615
_journal_page_last               8618
_journal_paper_doi               10.1039/d0cc03472j
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C251.75 H143.83 Ag24 N17.87 O48'
_chemical_formula_weight         6775.73
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-06-04 deposited with the CCDC.	2020-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.48(3)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   34.512(7)
_cell_length_b                   5.9589(12)
_cell_length_c                   38.939(19)
_cell_measurement_reflns_used    18612
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.491
_cell_measurement_theta_min      3.048
_cell_volume                     7754(5)
_computing_cell_refinement       'Rigaku Rapid Auto'
_computing_data_collection       'Rigaku Rapid Auto'
_computing_data_reduction        'Rigaku Rapid Auto'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'imaging plate'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1775
_diffrn_reflns_av_unetI/netI     0.1558
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            61289
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.490
_diffrn_reflns_theta_min         3.048
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.537
_exptl_absorpt_correction_T_max  0.900
_exptl_absorpt_correction_T_min  0.779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Rigaku Rapid Auto'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_description       rod
_exptl_crystal_F_000             3291
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.070
_refine_diff_density_max         7.595
_refine_diff_density_min         -1.552
_refine_diff_density_rms         0.368
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     787
_refine_ls_number_reflns         17170
_refine_ls_number_restraints     324
_refine_ls_restrained_S_all      1.306
_refine_ls_R_factor_all          0.2670
_refine_ls_R_factor_gt           0.1703
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3946
_refine_ls_wR_factor_ref         0.4501
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7472
_reflns_number_total             17170
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc03472j2.cif
_cod_data_source_block           3-AgBTB-dpt
_cod_depositor_comments
'Adding full bibliography for 7126731--7126734.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7126734
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.780
_shelx_estimated_absorpt_t_max   0.900
_shelx_res_checksum              34964
_shelx_fab_checksum              26957