Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.
Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong; Dalton transactions (Cambridge, England : 2003) 49 (2020) 3408–3412; doi:10.1039/d0dt00159g

data_7703585
_publ_section_title
;
 Polyoxometalate-based room-temperature phosphorescent materials induced
 by anion-\p interactions.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3408
_journal_page_last               3412
_journal_paper_doi               10.1039/d0dt00159g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C67 H101 Er N10 O62 Si W12'
_chemical_formula_sum            'C67 H101 Er N10 O62 Si W12'
_chemical_formula_weight         4440.12
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2020-01-08 deposited with the CCDC.	2020-02-20 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100.00(11)
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_unetI/netI     0.0476
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
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_diffrn_reflns_theta_max         26.499
_diffrn_reflns_theta_min         1.857
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    14.428
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.22561
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            pale-yellow
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_exptl_crystal_description       block
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_exptl_crystal_size_min          0.160
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_refine_ls_number_reflns         21083
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0277P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0660
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18080
_reflns_number_total             21083
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00159g2.cif
_cod_data_source_block           Er
_cod_depositor_comments
'Adding full bibliography for 7703577--7703585.cif.'
_cod_database_code               7703585
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.193
_shelx_estimated_absorpt_t_max   0.206
_shelx_res_checksum              13930