Mixed matrix membranes containing fluorescent coordination polymers for detecting Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> with high sensitivity, stability and recyclability.
Xu, Yong-Kai; Meng, Mei-Mei; Xi, Ji-Ming; Wang, Li-Fei; Zhu, Rui; Liu, Xing-Gui; Zhang, Rui; Dong, Wei; Lu, Zhen-Zhong; Zheng, He-Gen; Huang, Wei; Dalton transactions (Cambridge, England : 2003) 50 (2021) 7944–7948; doi:10.1039/d1dt00894c

data_7707436
_publ_section_title
;
 Mixed matrix membranes containing fluorescent coordination polymers for
 detecting Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> with high sensitivity,
 stability and recyclability.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7944
_journal_page_last               7948
_journal_paper_doi               10.1039/d1dt00894c
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C28 H21 Cd Cl N2 O2'
_chemical_formula_sum            'C28 H21 Cd Cl N2 O2'
_chemical_formula_weight         565.32
_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   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-02-20
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-02-22 deposited with the CCDC.	2021-05-18 downloaded from the CCDC.
;
_cell_angle_alpha                92.121(3)
_cell_angle_beta                 98.182(4)
_cell_angle_gamma                98.858(3)
_cell_formula_units_Z            2
_cell_length_a                   9.2718(13)
_cell_length_b                   9.9377(13)
_cell_length_c                   13.4848(19)
_cell_measurement_reflns_used    3652
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      25.033
_cell_measurement_theta_min      2.645
_cell_volume                     1213.0(3)
_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  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      300.77
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.989
_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  0.0395
_diffrn_reflns_av_unetI/netI     0.0702
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8919
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         2.653
_exptl_absorpt_coefficient_mu    1.038
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  0.740
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2008'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_description       block
_exptl_crystal_F_000             568
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.637
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4715
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0414
_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^)+(0.0257P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0757
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3621
_reflns_number_total             4715
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00894c2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7707436--7707438.cif.'
_cod_database_code               7707436
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.811
_shelx_estimated_absorpt_t_min   0.732
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C2(H2)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B)
2.c Aromatic/amide H refined with riding coordinates:
 C21(H21), C20(H20), C17(H17), C24(H24), C25(H25), C13(H13), C18(H18),
 C27(H27), C9(H9), C5(H5), C8(H8), C28(H28), C16(H16), C14(H14), C15(H15),
 C6(H6)
;
_shelx_res_checksum              81035
_shelx_hkl_checksum              14187
_olex2_submission_special_instructions 'No special instructions were received'