Sensitised near-infrared emission from lanthanides using an iridium complex as a ligand in heteronuclear Ir2Ln arrays
Chen, Fang-Fang; Bian, Zu-Qiang; Lou, Bin; Ma, En; Liu, Zhi-Wei; Nie, Dao-Bo; Chen, Zhu-Qi; Bian, Jiang; Chen, Zhong-Ning; Huang, Chun-Hui; Dalton Transactions  (2008) 5577–; doi:10.1039/b810016k

data_7004675
_publ_section_title
;
 Sensitised near-infrared emission from lanthanides using an iridium
 complex as a ligand in heteronuclear Ir2Ln arrays
;
_journal_issue                   41
_journal_name_full               'Dalton Transactions'
_journal_page_first              5577
_journal_paper_doi               10.1039/b810016k
_journal_year                    2008
_chemical_formula_moiety         'C87 H65.50 F10 Ir2 N13.50 Nd O14'
_chemical_formula_sum            'C87 H65.5 F10 Ir2 N13.5 Nd O14'
_chemical_formula_weight         2242.67
_chemical_name_common
;
Bis(Iridium bis(2-phenylpyridinato-N,C2) (4,4,5,5,5-
pentafluoro-1-(1,10-phenanthrolin-2-yl)pentane-1,3-dionate)) Neodymium
nitrate
;
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.743(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.4979(18)
_cell_length_b                   17.028(2)
_cell_length_c                   34.616(4)
_cell_measurement_reflns_used    16328
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.5
_cell_volume                     9134.3(18)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0856
_diffrn_reflns_av_sigmaI/netI    0.0755
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            65277
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    3.555
_exptl_absorpt_correction_T_max  0.6001
_exptl_absorpt_correction_T_min  0.5085
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4392
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_platon_squeeze_details
;
;
_refine_diff_density_max         4.331
_refine_diff_density_min         -2.486
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1231
_refine_ls_number_reflns         15938
_refine_ls_number_restraints     114
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0925
_refine_ls_R_factor_gt           0.0761
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0838P)^2^+70.7919P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1865
_refine_ls_wR_factor_ref         0.1974
_reflns_number_gt                13186
_reflns_number_total             15938
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b810016k.txt
_cod_data_source_block           shelxl
_cod_original_cell_volume        9134.3(19)
_cod_original_formula_sum        'C87 H65.50 F10 Ir2 N13.50 Nd O14'
_cod_database_code               7004675