Highly sensitized near-infrared luminescence in Ir-Ln heteronuclear coordination polymers via light-harvesting antenna of Ir(III) unit
Lina Li; Shuquan Zhang; Liangjin Xu; Zhong-Nin Chen; Junhua Luo; Journal of Materials Chemistry C 2 (2014) 1698–1703; doi:10.1039/C3TC31822B

data_7233641
_publ_section_title
;
 Highly sensitized near-infrared luminescence in Ir-Ln heteronuclear
 coordination polymers via light-harvesting antenna of Ir(III) unit
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1698
_journal_page_last               1703
_journal_paper_doi               10.1039/C3TC31822B
_journal_volume                  2
_journal_year                    2014
_chemical_formula_sum            'C68 H44 Ir2 N8 O10 Yb'
_chemical_formula_weight         1690.6
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                73.467(2)
_cell_angle_beta                 88.039(3)
_cell_angle_gamma                81.392(3)
_cell_formula_units_Z            2
_cell_length_a                   8.9717(3)
_cell_length_b                   15.1215(4)
_cell_length_c                   23.7174(6)
_cell_measurement_reflns_used    10496
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      72.914
_cell_measurement_theta_min      3.133
_cell_volume                     3049.74(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            23295
_diffrn_reflns_theta_full        73.38
_diffrn_reflns_theta_max         73.38
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    11.565
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58412
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.841
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1582
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         4.871
_refine_diff_density_min         -11.559
_refine_diff_density_rms         0.366
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     802
_refine_ls_number_reflns         11812
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0834
_refine_ls_R_factor_gt           0.0755
_refine_ls_shift/su_max          0.044
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1417P)^2^+61.1198P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2307
_refine_ls_wR_factor_ref         0.2397
_reflns_number_gt                10120
_reflns_number_total             11812
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1000004.cif
_cod_data_source_block           PCOD1000004
_cod_original_cell_volume        3049.73(16)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7233641