A new biphenol-dipicolylamine based ligand and its dinuclear Zn<sup>2+</sup> complex as fluorescent sensors for ibuprofen and ketoprofen in aqueous solution.
Paderni, Daniele; Macedi, Eleonora; Giacomazzo, Gina Elena; Formica, Mauro; Giorgi, Luca; Valtancoli, Barbara; Rossi, Patrizia; Paoli, Paola; Conti, Luca; Fusi, Vieri; Giorgi, Claudia; Dalton transactions (Cambridge, England : 2003) 53 (2024) 9495–9509; doi:10.1039/d4dt00935e

data_7716090
_publ_section_title
;
 A new biphenol-dipicolylamine based ligand and its dinuclear
 Zn<sup>2+</sup> complex as fluorescent sensors for ibuprofen and
 ketoprofen in aqueous solution.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9495
_journal_page_last               9509
_journal_paper_doi               10.1039/d4dt00935e
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C38 H36 N6 O2'
_chemical_formula_weight         608.73
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-03-28 deposited with the CCDC.	2024-05-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_theta_min      2.96
_cell_volume                     6401.3(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SIR-2014 (Burla 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1006
_diffrn_reflns_av_unetI/netI     0.0405
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         68.355
_diffrn_reflns_theta_min         2.078
_exptl_absorpt_coefficient_mu    0.636
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6823
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_description       prism
_exptl_crystal_F_000             2576
_exptl_crystal_size_max          0.24
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_exptl_crystal_size_min          0.21
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     878
_refine_ls_number_reflns         11753
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0667
_refine_ls_R_factor_gt           0.0503
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0545P)^2^+3.8940P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1198
_refine_ls_wR_factor_ref         0.1308
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9325
_reflns_number_total             11753
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00935e2.cif
_cod_data_source_block           L
_cod_depositor_comments          'Adding full bibliography for 7716090.cif.'
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               7716090
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              27566