Nonradiative deactivation of europium(III) luminescence as a detection scheme for moisture.
Knall, Astrid C.; Tscherner, Martin; Noormofidi, Nadja; Pein, Andreas; Saf, Robert; Mereiter, Kurt; Ribitsch, Volker; Stelzer, Franz; Slugovc, Christian; The Analyst 137 (2012) 563–566; doi:10.1039/c1an15987a

data_1514917
_publ_section_title
;
 Nonradiative deactivation of europium(III) luminescence as a detection
 scheme for moisture.
;
_journal_issue                   3
_journal_name_full               'The Analyst'
_journal_page_first              563
_journal_page_last               566
_journal_paper_doi               10.1039/c1an15987a
_journal_volume                  137
_journal_year                    2012
_chemical_formula_moiety         '2(C43 H23 Eu F9 N4 O6 S3), 3(C5 H12)'
_chemical_formula_sum            'C101 H82 Eu2 F18 N8 O12 S6'
_chemical_formula_weight         2438.03
_chemical_name_common            '1330 ak161 2[Eu(tta)3(pip)].3(C5H12)'
_chemical_name_systematic
;
(2-Phenyl-1H-imidazo(4,5-f)(1,10)phenanthroline-N,N')-tris(1-(2-thienyl)-
4,4,4-trifluorobutane-1,3-dionato-O,O')-europium(iii) n-pentane solvate
(2:3).
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.944(2)
_cell_angle_beta                 99.275(2)
_cell_angle_gamma                99.985(2)
_cell_formula_units_Z            4
_cell_length_a                   14.5284(6)
_cell_length_b                   24.4825(11)
_cell_length_c                   30.2443(14)
_cell_measurement_reflns_used    9699
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.30
_cell_volume                     10302.3(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT, SADABS, XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker Smart APEX CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0332
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            167363
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    1.424
_exptl_absorpt_correction_T_max  0.67
_exptl_absorpt_correction_T_min  0.54
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4896
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         4.381
_refine_diff_density_min         -2.165
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2635
_refine_ls_number_reflns         50777
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0526
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0592P)^2^+38.2833P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1297
_refine_ls_wR_factor_ref         0.1415
_reflns_number_gt                41671
_reflns_number_total             50777
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1an15987a.txt
_cod_data_source_block           1330
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1514917