Novel silver(i) cluster-based coordination polymers as efficient luminescent thermometers
Xue, Zhen-Zhen; Li, Xin-Yu; Xu, Lei; Han, Song-De; Pan, Jie; Wang, Guo-Ming; CrystEngComm 23 (2021) 56–63; doi:10.1039/D0CE01507E

data_7241434
_publ_section_title
;
 Novel silver(i) cluster-based coordination polymers as efficient
 luminescent thermometers
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              56
_journal_page_last               63
_journal_paper_doi               10.1039/D0CE01507E
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C38 H31 Ag4 N18 O4.5'
_chemical_formula_weight         1243.29
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_space_group_name_Hall           '-I 2b 2c'
_space_group_name_H-M_alt        'I b c a'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-11-05 deposited with the CCDC.	2020-11-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_b                   26.2621(4)
_cell_length_c                   29.1639(4)
_cell_measurement_reflns_used    11780
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      73.2380
_cell_measurement_theta_min      4.0140
_cell_volume                     16698.6(4)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_unetI/netI     0.0270
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20449
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.469
_diffrn_reflns_theta_max         67.469
_diffrn_reflns_theta_min         4.017
_exptl_absorpt_coefficient_mu    15.399
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.16378
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.978
_exptl_crystal_description       block
_exptl_crystal_F_000             9744
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.053
_refine_diff_density_min         -0.908
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         7512
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+124.0404P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0769
_refine_ls_wR_factor_ref         0.0782
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7043
_reflns_number_total             7512
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ce01507e2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7241434--7241435.cif.'
_cod_original_formula_sum        'C38 H31 Ag4 N18 O4.50'
_cod_database_code               7241434
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              37205