A multifunctional four-fold interpenetrated coordination polymer: Quantifiable evaluation of luminescent sensing for Cr(VI)/Cu(II) and photocatalytic properties
Meng, Xiang-Min; Li, Yuan-Cheng; Huang, Ke-Rui; Long, Jin-Qiao; Cui, Lian-Sheng; Inorganica Chimica Acta 482 (2018) 284–291; doi:10.1016/j.ica.2018.06.019

data_1563959
_publ_section_title
;
 A multifunctional four-fold interpenetrated coordination polymer:
 Quantifiable evaluation of luminescent sensing for Cr(VI)/Cu(II) and
 photocatalytic properties
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              284
_journal_page_last               291
_journal_paper_doi               10.1016/j.ica.2018.06.019
_journal_volume                  482
_journal_year                    2018
_chemical_formula_moiety
'0.5(C132.31 H92.63 N16 O20 Zn4), C3 H6 N O, 2(H2 O)'
_chemical_formula_sum            'C69.15 H56.31 N9 O13 Zn2'
_chemical_formula_weight         1352.14
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_cell_angle_alpha                90
_cell_angle_beta                 92.5360(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.87240(10)
_cell_length_b                   24.0870(4)
_cell_length_c                   17.1977(3)
_cell_measurement_reflns_used    8590
_cell_measurement_temperature    170
_cell_measurement_theta_max      24.57
_cell_measurement_theta_min      3.85
_cell_volume                     3257.88(9)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      170
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0726
_diffrn_reflns_av_unetI/netI     0.0592
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            60922
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.955
_diffrn_reflns_theta_min         1.456
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.807
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.7076
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_description       block
_exptl_crystal_F_000             1396
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.723
_refine_diff_density_min         -0.848
_refine_diff_density_rms         0.146
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     526
_refine_ls_number_reflns         8601
_refine_ls_number_restraints     595
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.1240
_refine_ls_R_factor_gt           0.0875
_refine_ls_shift/su_max          0.069
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1540P)^2^+10.5960P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2583
_refine_ls_wR_factor_ref         0.2832
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5837
_reflns_number_total             8601
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ICA-2018-482-284.cif
_cod_data_source_block           mo_2016843-8_0m
_cod_database_code               1563959