Two 2D multiresponsive luminescence coordination polymers for selective sensing of Fe3+, CrVI anions and TNP in aqueous medium
Zhou, Ai-Mei; Wei, Han; Gao, Wei; Liu, Jie-Ping; Zhang, Xiu-Mei; CrystEngComm 21 (2019) 5185–; doi:10.1039/C9CE01045A

data_7233294
_publ_section_title
;
 Two 2D multiresponsive luminescence coordination polymers for selective
 sensing of Fe3+, CrVI anions and TNP in aqueous medium
;
_journal_issue                   34
_journal_name_full               CrystEngComm
_journal_page_first              5185
_journal_paper_doi               10.1039/C9CE01045A
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C14 H14 N2 O8 Zn'
_chemical_formula_weight         403.64
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-06-25 deposited with the CCDC.    2019-07-31 downloaded from the CCDC.
;
_cell_angle_alpha                68.2960(10)
_cell_angle_beta                 83.965(3)
_cell_angle_gamma                85.654(3)
_cell_formula_units_Z            2
_cell_length_a                   7.7164(7)
_cell_length_b                   9.6706(9)
_cell_length_c                   11.0779(11)
_cell_measurement_reflns_used    1130
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.8060
_cell_measurement_theta_min      7.2530
_cell_volume                     763.19(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_av_unetI/netI     0.1038
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       8
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_diffrn_reflns_limit_l_max       13
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_diffrn_reflns_number            4606
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_min         4.310
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.709
_exptl_absorpt_correction_T_max  0.8994
_exptl_absorpt_correction_T_min  0.7734
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_R_factor_all          0.0873
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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^)+(0.0401P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1446
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1777
_reflns_number_total             2659
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9ce01045a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7233294--7233295.cif.'
_cod_original_cell_volume        763.19(13)
_cod_database_code               7233294
_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.899
_shelx_res_checksum              61160