A multifunctional Eu-CP as a recyclable luminescent probe for the highly sensitive detection of Fe<sup>3+</sup>/Fe<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup>, and nitroaromatic explosives.
Yang, Yang; Qiu, Fangzhou; Xu, Cong; Feng, Yan; Zhang, Guolin; Liu, Weisheng; Dalton transactions (Cambridge, England : 2003) 47 (2018) 7480–7486; doi:10.1039/c8dt01518j

data_7046376
_publ_section_title
;
 A multifunctional Eu-CP as a recyclable luminescent probe for the highly
 sensitive detection of Fe<sup>3+</sup>/Fe<sup>2+</sup>,
 Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup>, and nitroaromatic explosives.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7480
_journal_page_last               7486
_journal_paper_doi               10.1039/c8dt01518j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C34 H22 Eu N4 O8, N O3'
_chemical_formula_sum            'C34 H22 Eu N5 O11'
_chemical_formula_weight         828.52
_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_date             2018-05-03
_audit_creation_method
;
Olex2 1.2
(compiled 2018.04.03 svn.r3497 for OlexSys, GUI svn.r5486)
;
_audit_update_record
;
2018-05-03 deposited with the CCDC.
2018-05-14 downloaded from the CCDC.
;
_cell_angle_alpha                92.788(7)
_cell_angle_beta                 101.970(8)
_cell_angle_gamma                92.107(8)
_cell_formula_units_Z            2
_cell_length_a                   10.5851(11)
_cell_length_b                   11.3157(11)
_cell_length_c                   13.7776(10)
_cell_measurement_reflns_used    2662
_cell_measurement_temperature    273(8)
_cell_measurement_theta_max      24.2280
_cell_measurement_theta_min      3.6030
_cell_volume                     1610.6(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(8)
_diffrn_detector_area_resol_mean 16.0733
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
  1 omega  -20.00   19.00   1.5000   14.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.5055  -99.0000  150.0000 26

  2 omega  -48.00   21.00   1.5000   14.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.5055   38.0000 -180.0000 46

  3 omega   49.00   76.00   1.5000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867  178.0000  -60.0000 18

  4 omega   -1.00   93.50   1.5000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867   57.0000   90.0000 63

  5 omega   -1.00   92.00   1.5000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867   57.0000    0.0000 62

  6 omega  -48.00   46.50   1.5000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867  -57.0000 -150.0000 63
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0656391000
_diffrn_orient_matrix_UB_12      -0.0183634000
_diffrn_orient_matrix_UB_13      -0.0033812000
_diffrn_orient_matrix_UB_21      -0.0197882000
_diffrn_orient_matrix_UB_22      0.0529024000
_diffrn_orient_matrix_UB_23      -0.0230386000
_diffrn_orient_matrix_UB_31      -0.0016872000
_diffrn_orient_matrix_UB_32      -0.0284895000
_diffrn_orient_matrix_UB_33      -0.0472920000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_diffrn_reflns_av_R_equivalents  0.0526
_diffrn_reflns_av_unetI/netI     0.0953
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11137
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         25.994
_diffrn_reflns_theta_min         3.363
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.019
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86073
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_description       block
_exptl_crystal_F_000             824
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_platon_squeeze_details          TITL
_refine_diff_density_max         1.534
_refine_diff_density_min         -0.974
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         6309
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0491
_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^)+(0.0237P)^2^+0.4490P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0920
_refine_ls_wR_factor_ref         0.1030
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5192
_reflns_number_total             6309
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt01518j2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7046376.cif.'
_cod_database_code               7046376
_shelx_shelxl_version_number     2018/1
_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C4) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C14(H14),
 C15(H15), C16(H16), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C26(H26),
  C27(H27), C29(H29), C31(H31), C32(H32), C33(H33)
;
_olex2_submission_special_instructions 'No special instructions were received'