A Photoluminescent Thermometer made from a Thermoresponsive Tetranuclear Gold Complex and Phosphor N630
Xu, Wen Di; Yan, Jia Jun; Feng, Meng Yao; Li, Hai-Yan; Young, David James; Ren, Zhi-Gang; Dalton Transactions  (2021) –; doi:10.1039/D1DT03189A

data_7708654
_publ_section_title
;
 A Photoluminescent Thermometer made from a Thermoresponsive Tetranuclear
 Gold Complex and Phosphor N630
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT03189A
_journal_year                    2021
_chemical_formula_moiety         'C83 H71 Au4 Cl N4 O6 P4 S3, C2 H6 O'
_chemical_formula_sum            'C85 H77 Au4 Cl N4 O7 P4 S3'
_chemical_formula_weight         2309.88
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-09-11 deposited with the CCDC.	2021-10-27 downloaded from the CCDC.
;
_cell_angle_alpha                81.379(3)
_cell_angle_beta                 89.680(4)
_cell_angle_gamma                73.274(3)
_cell_formula_units_Z            2
_cell_length_a                   11.2814(9)
_cell_length_b                   16.5641(14)
_cell_length_c                   23.6076(19)
_cell_measurement_reflns_used    9983
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      56.9484
_cell_measurement_theta_min      3.2972
_cell_volume                     4173.8(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS 2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  BrukerAXS
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_unetI/netI     0.0383
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            103120
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         57.035
_diffrn_reflns_theta_min         2.735
_exptl_absorpt_coefficient_mu    10.307
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_correction_T_min  0.5372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction 
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.838
_exptl_crystal_description       block
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.015
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.153
_refine_diff_density_min         -2.031
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     974
_refine_ls_number_reflns         16979
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0384P)^2^+8.7077P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0825
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14578
_reflns_number_total             16979
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt03189a2.cif
_cod_data_source_block           a1
_cod_database_code               7708654
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.861
_shelx_estimated_absorpt_t_max   0.904
_shelx_res_checksum              14232
_shelx_fab_checksum              44517