Record high cationic dye separation performance for water sanitation using a neutral coordination framework
Wang, Zheng; Zhu, Cheng-Yi; Zhao, Heng-Shun; Yin, Shao-Yun; Wang, Su-Juan; Zhang, Jian-Hua; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong; Journal of Materials Chemistry A 7 (2019) 4751–; doi:10.1039/C8TA12092G

data_7237255
_publ_section_title
;
 Record high cationic dye separation performance for water sanitation
 using a neutral coordination framework
;
_journal_issue                   9
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              4751
_journal_paper_doi               10.1039/C8TA12092G
_journal_volume                  7
_journal_year                    2019
_chemical_formula_sum            'C48 H28 Co N20'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-10-12 deposited with the CCDC.
2019-01-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.310(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_b                   13.4843(10)
_cell_length_c                   15.6502(11)
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_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      64.0010
_cell_measurement_theta_min      4.3410
_cell_volume                     2675.9(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  bruker-CCD
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0652
_diffrn_reflns_av_unetI/netI     0.0660
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
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_diffrn_reflns_point_group_measured_fraction_full 0.982
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_diffrn_reflns_theta_max         63.685
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_exptl_absorpt_coefficient_mu    2.929
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.171
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.190
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.510
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0169P)^2^+8.7819P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8ta12092g2.cif
_cod_data_source_block           LIFM-WZ-4
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C48 H28  Co N20'
_cod_database_code               7237255
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              23831