Luminescent Ln3+ nitrobenzoato complexes: first examples of sensitization of green and red emission.
de Bettencourt Dias, Ana; Viswanathan, Subha; Chemical communications (Cambridge, England)  (2004) 1024–1025; doi:10.1039/b402038c

data_7102597
_publ_section_title
;
 Luminescent Ln3+ nitrobenzoato complexes: first examples of
 sensitization of green and red emission.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1024
_journal_page_last               1025
_journal_paper_doi               10.1039/b402038c
_journal_year                    2004
_chemical_formula_sum            'C66 H53 Eu2 N6 O32.5 S6'
_chemical_formula_weight         1946.42
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 96.74(3)
_cell_angle_gamma                90.22(3)
_cell_formula_units_Z            2
_cell_length_a                   11.372(2)
_cell_length_b                   17.016(3)
_cell_length_c                   20.126(4)
_cell_measurement_reflns_used    9543
_cell_measurement_temperature    89(2)
_cell_measurement_theta_max      32.73
_cell_measurement_theta_min      2.39
_cell_volume                     3555.3(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      89(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'APEX CCD detector'
_diffrn_measurement_method       'Phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0259
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_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            35649
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.30
_diffrn_standards_decay_%        0.001
_exptl_absorpt_coefficient_mu    2.023
_exptl_absorpt_correction_T_max  0.8233
_exptl_absorpt_correction_T_min  0.4984
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS SHELXL-97 (Sheldrick, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.818
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1946
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.10
_refine_diff_density_max         6.595
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     1002
_refine_ls_number_reflns         16245
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0541
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0474P)^2^+18.1622P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1121
_refine_ls_wR_factor_ref         0.1168
_reflns_number_gt                13977
_reflns_number_total             16245
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b402038c.txt
_cod_data_source_block           p1bar_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C66 H53 Eu2 N6 O32.50 S6'
_cod_database_code               7102597