Novel Stoichiometrically Erbium−Ytterbium Cocrystalline Complex Exhibiting Enhanced Near-Infrared Luminescence
Zhong, Qi; Wang, Huaishan; Qian, Guodong; Wang, Zhiyu; Zhang, Jiahua; Qiu, Jianrong; Wang, Minquan; Inorganic Chemistry 45 (2006) 4537–4543; doi:10.1021/ic051697y

data_4331859
_publ_section_title
;
 Novel Stoichiometrically Erbium&#x2212;Ytterbium Cocrystalline Complex
 Exhibiting Enhanced Near-Infrared Luminescence
;
_journal_issue                   11
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4537
_journal_page_last               4543
_journal_paper_doi               10.1021/ic051697y
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C51 H30 F18 Er O8 P2 '
_chemical_formula_sum            'C51 H30 Er F18 O8 P2'
_chemical_formula_weight         1341.97
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.4940(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.4229(5)
_cell_length_b                   15.5910(3)
_cell_length_c                   20.5218(8)
_cell_measurement_reflns_used    44035
_cell_measurement_temperature    293(1)
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      1.3
_cell_volume                     5564.2(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9884
_diffrn_measured_fraction_theta_max 0.9757
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.056
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            47260
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.33
_exptl_absorpt_coefficient_mu    1.673
_exptl_absorpt_correction_T_max  0.740
_exptl_absorpt_correction_T_min  0.587
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2640.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.88
_refine_diff_density_min         -0.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     721
_refine_ls_number_reflns         7240
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.0120
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0940
_reflns_number_gt                7272
_reflns_number_total             12285
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic051697ysup1.cif
_cod_data_source_block           '_WHS1_____________________'
_cod_original_formula_sum        'C51 H30 F18 Er O8 P2 '
_cod_database_code               4331859