A water stable Eu(III)-organic framework as a recyclable multi-responsive luminescent sensor for efficient detection of <i>p</i>-aminophenol in simulated urine, and Mn<sup>VII</sup> and Cr<sup>VI</sup> anions in aqueous solutions.
Zhao, Jiao-Jiao; Liu, Peng-Yu; Song, Li-Jun; Zhang, Lei; Liu, Zhi-Liang; Wang, Yan-Qin; Dalton transactions (Cambridge, England : 2003) 50 (2021) 5236–5243; doi:10.1039/d1dt00112d

data_7706634
_publ_section_title
;
 A water stable Eu(III)-organic framework as a recyclable multi-responsive
 luminescent sensor for efficient detection of <i>p</i>-aminophenol in
 simulated urine, and Mn<sup>VII</sup> and Cr<sup>VI</sup> anions in
 aqueous solutions.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5236
_journal_page_last               5243
_journal_paper_doi               10.1039/d1dt00112d
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C19 H17 Eu N2 O10'
_chemical_formula_sum            'C19 H17 Eu N2 O10'
_chemical_formula_weight         585.30
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2020-09-29
_audit_creation_method
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_audit_update_record
;
2021-01-08 deposited with the CCDC.	2021-02-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.898(2)
_cell_length_b                   15.3388(17)
_cell_length_c                   18.208(2)
_cell_measurement_reflns_used    7258
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.59
_cell_measurement_theta_min      2.24
_cell_volume                     4998.7(10)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_unetI/netI     0.0277
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24333
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.510
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.560
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0753 before and 0.0330 after correction.
The Ratio of minimum to maximum transmission is 0.9103.
The \l/2 correction factor is 0.00150.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_description       block
_exptl_crystal_F_000             2304
_refine_diff_density_max         2.099
_refine_diff_density_min         -1.034
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     368
_refine_ls_number_reflns         4393
_refine_ls_number_restraints     188
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0445
_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^)+(0.0801P)^2^+28.4471P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1315
_refine_ls_wR_factor_ref         0.1388
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3508
_reflns_number_total             4393
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00112d2.cif
_cod_data_source_block           123
_cod_depositor_comments          'Adding full bibliography for 7706634.cif.'
_cod_database_code               7706634
_shelx_shelxl_version_number     2018/3
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C19-N1
 1.4 with sigma of 0.02
 N4-C15
 1.4 with sigma of 0.02
 O12-N4
 1.2 with sigma of 0.02
 C22-C23 = N2-C21
 1.4 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(N2) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C21)
\\sim Ueq, Uanis(C23) \\sim Ueq: with sigma of 0.005 and sigma for terminal
atoms of 0.01
Uanis(O8) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C17)
\\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C18) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C19) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C18)
\\sim Ueq, Uanis(C17) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(O12) \\sim Ueq, Uanis(N4) \\sim Ueq, Uanis(O11) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
 O7, C22, N2, C21, C20, C23
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O8, N1, C16, C17, C19, C18
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O8, N1, C16, C17, C19, C18
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O11, N4, O12, C15, C8, C13
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Sof(H7A)=Sof(H7B)=Sof(N1)=Sof(H15)=Sof(C16)=Sof(C17)=Sof(H17A)=Sof(H17B)=
 Sof(H17C)=Sof(C19)=Sof(H19A)=Sof(H19B)=Sof(H19C)=Sof(C18)=Sof(H18A)=Sof(H18B)=
 Sof(H18C)=Sof(O9)=Sof(N3)=Sof(O10)=1-FVAR(1)
 Sof(H8A)=Sof(H8B)=Sof(N2)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=Sof(H9)=
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C22)=Sof(C23)=Sof(H23A)=Sof(H23B)=
 Sof(H23C)=Sof(O11)=Sof(N4)=Sof(O12)=FVAR(1)
6.a Riding coordinates:
 O7(H7A,H7B), O8(H8A,H8B)
6.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C3(H3), C4(H4), C15(H15), C13(H13), C10(H10), C9(H9)
6.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C17(H17A,H17B,H17C), C19(H19A,H19B,
 H19C), C18(H18A,H18B,H18C), C23(H23A,H23B,H23C)
;
_shelx_res_checksum              45338
_shelx_hkl_checksum              22763
_olex2_submission_special_instructions 'No special instructions were received'