Three Zn(ii)-based MOFs for luminescence sensing of Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> ions.
Xiao, Zhi-Zun; Han, Li-Juan; Wang, Zhong-Jie; Zheng, He-Gen; Dalton transactions (Cambridge, England : 2003) 47 (2018) 3298–3302; doi:10.1039/c7dt04659f

data_7045353
_publ_section_title
;
 Three Zn(ii)-based MOFs for luminescence sensing of Fe<sup>3+</sup> and
 Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> ions.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3298
_journal_page_last               3302
_journal_paper_doi               10.1039/c7dt04659f
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C40 H50 N2 O6 Zn'
_chemical_formula_weight         720.19
_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   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2018-01-21 deposited with the CCDC.
2018-01-23 downloaded from the CCDC.
;
_cell_angle_alpha                98.194(2)
_cell_angle_beta                 91.550(2)
_cell_angle_gamma                100.009(2)
_cell_formula_units_Z            2
_cell_length_a                   6.1957(6)
_cell_length_b                   15.4084(14)
_cell_length_c                   19.6221(19)
_cell_measurement_reflns_used    8956
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.63
_cell_measurement_theta_min      2.77
_cell_volume                     1823.3(3)
_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-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_unetI/netI     0.0602
_diffrn_reflns_Laue_measured_fraction_full 0.982
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_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 0.982
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.831
_diffrn_reflns_theta_min         2.761
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.722
_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
_exptl_crystal_F_000             764
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_refine_diff_density_max         1.935
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_refine_ls_number_reflns         8481
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_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0588
_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^)+(0.0697P)^2^+2.8938P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1537
_refine_ls_wR_factor_ref         0.1605
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7120
_reflns_number_total             8481
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt04659f2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7045353--7045355.cif.'
_cod_database_code               7045353
_shelx_shelxl_version_number     2018/1
_shelx_res_checksum              36410