A mechanistic insight into the rapid and selective removal of Congo Red by an amide functionalised Zn(ii) coordination polymer.
Paul, Anup; Das, Kabita; Karmakar, Anirban; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 12970–12984; doi:10.1039/d0dt02172e

data_7705264
_publ_section_title
;
 A mechanistic insight into the rapid and selective removal of Congo Red
 by an amide functionalised Zn(ii) coordination polymer.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12970
_journal_page_last               12984
_journal_paper_doi               10.1039/d0dt02172e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C20 H20 N3 O7 Zn'
_chemical_formula_sum            'C20 H20 N3 O7 Zn'
_chemical_formula_weight         479.76
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-06-18 deposited with the CCDC.	2020-08-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.098(9)
_cell_angle_beta                 110.130(12)
_cell_angle_gamma                90.113(9)
_cell_formula_units_Z            2
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_cell_length_c                   11.895(4)
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_cell_measurement_theta_min      2.59
_cell_volume                     1059.4(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SIR97 (Giacovazzo et al, 1997)'
_diffrn_ambient_temperature      298(2)
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_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II PHOTON 100'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0261
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_diffrn_reflns_Laue_measured_fraction_full 0.994
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_diffrn_reflns_point_group_measured_fraction_full 0.994
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.507
_diffrn_reflns_theta_min         2.536
_exptl_absorpt_coefficient_mu    1.206
_exptl_absorpt_correction_T_max  0.796
_exptl_absorpt_correction_T_min  0.691
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
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_exptl_crystal_size_mid          0.270
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_refine_diff_density_max         1.368
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_refine_ls_number_reflns         4332
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0483P)^2^+2.5528P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1298
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3775
_reflns_number_total             4332
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02172e2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7705264--7705266.cif.'
_cod_database_code               7705264
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.625
_shelx_estimated_absorpt_t_max   0.794
_shelx_res_checksum              93329