Extending Lifetimes of Lanthanide-Based Near-Infrared Emitters (Nd, Yb) in the Millisecond Range through Cr(III) Sensitization in Discrete Bimetallic Edifices
Daniel Imbert; Martine Cantuel; Jean-Claude G. Bünzli; Gérald Bernardinelli; Claude Piguet; Journal of the American Chemical Society 125 (2003) 15698–15699; doi:10.1021/ja0386501

data_4114548
_publ_contact_author
;
     Dr Gerald Bernardinelli
     Laboratory of X-ray Crystallography
     University of Geneva
     24, quai E. Ansermet
     CH - 1211 Geneva 4
     Switzerland
;
_publ_contact_author_email       gerald.bernardinelli@cryst.unige.ch
_publ_contact_author_fax         '41 (22) 702 61 08'
_publ_contact_author_phone       '41 (22) 702 62 02'
_publ_section_title
;
 Extending Lifetimes of Lanthanide-Based Near-Infrared Emitters (Nd, Yb)
 in the Millisecond Range through Cr(III) Sensitization in Discrete
 Bimetallic Edifices
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15698
_journal_page_last               15699
_journal_paper_doi               10.1021/ja0386501
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety
;
Yb Cr (C33 H33 N7 O)3 (C F3 S O)6 (C2 H3 N)4
;
_chemical_formula_sum            'C113 H111 Cr F18 N25 O21 S6 Yb'
_chemical_formula_weight         2914.9
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.0.1
_audit_creation_date             2003-09-09
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_audit_update_record             2003-09-12
_cell_angle_alpha                90.00000
_cell_angle_beta                 92.156(5)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   22.2714(10)
_cell_length_b                   22.8851(12)
_cell_length_c                   24.3983(11)
_cell_measurement_reflns_used    8001
_cell_measurement_temperature    200
_cell_measurement_theta_max      26.9
_cell_measurement_theta_min      3.8
_cell_volume                     12426.6(10)
_computing_cell_refinement       'CELL (Stoe & Cie, 1999)'
_computing_data_collection       'EXPOSE (Stoe & Cie, 1999)'
_computing_data_reduction        'XRED (Stoe & Cie, 1999)'
_computing_molecular_graphics    xtal_gx3
_computing_publication_material  xtal_CIFIO
_computing_structure_refinement  xtal_CRYLSQ
_diffrn_detector_area_resol_mean 6
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max .95
_diffrn_measurement_device_type  'Stoe Ipds'
_diffrn_measurement_method       \f
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .09
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            109590
_diffrn_reflns_theta_full        27.03
_diffrn_reflns_theta_max         27.03
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.041
_exptl_absorpt_correction_T_max  .9108
_exptl_absorpt_correction_T_min  .8211
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED; Stoe & Cie, 1999'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          .22
_exptl_crystal_size_mid          .17
_exptl_crystal_size_min          .11
_refine_diff_density_max         1.12
_refine_diff_density_min         -1.012
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       .00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.11
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     1666
_refine_ls_number_reflns         12877
_refine_ls_R_factor_gt           .038
_refine_ls_shift/su_max          .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     \w=1/[\s^2^(Fo)+0.0002(Fo^2^)]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .037
_reflns_number_gt                11648
_reflns_number_total             25870
_reflns_threshold_expression     'refl observed if Fo > 3.99 \s(Fo)'
_cod_data_source_file            ja0386501si20031023_082127_2.cif
_cod_data_source_block           YBCR
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        12426.6(11)
_cod_original_formula_sum        'C113 H111 Cr F18 N25 O21  S6 Yb'
_cod_database_code               4114548