A nanoporous Ag(i) coordination polymer for selective adsorption of carcinogenic dye Acid Red 26.
Li, Cheng-Peng; Zhou, Hang; Wang, Si; Yuan, Hong-Han; Zhang, Su-Zhen; Du, Miao; Chemical communications (Cambridge, England) 53 (2017) 4767–4770; doi:10.1039/c7cc02005h

data_7119909
_publ_section_title
;
 A nanoporous Ag(i) coordination polymer for selective adsorption of
 carcinogenic dye Acid Red 26.
;
_journal_issue                   35
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4767
_journal_page_last               4770
_journal_paper_doi               10.1039/c7cc02005h
_journal_volume                  53
_journal_year                    2017
_chemical_formula_sum            'C108.75 H87.75 Ag7 B7 F28 N38.25 O2.25'
_chemical_formula_weight         3329.18
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-02-05 deposited with the CCDC.
2017-03-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
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_cell_measurement_theta_max      73.5280
_cell_measurement_theta_min      4.3470
_cell_volume                     9189.6(3)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0638
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_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -15
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_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.511
_diffrn_reflns_theta_min         3.348
_exptl_absorpt_coefficient_mu    6.502
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80500
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.203
_exptl_crystal_description       block
_exptl_crystal_F_000             3284
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.603
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_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         12160
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0770
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_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^)+(0.0480P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1315
_refine_ls_wR_factor_ref         0.1389
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8297
_reflns_number_total             12160
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc02005h2.cif
_cod_data_source_block           1_BF4
_cod_depositor_comments
'Adding full bibliography for 7119909--7119910.cif.'
_cod_database_code               7119909
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              51220
_shelx_fab_checksum              43839