A photoluminescent Au(I)/Ag(I)/PNN coordination complex for relatively rapid and reversible alcohol sensing.
Tao, Yanhui; Wang, Yuwei; Hu, Shengnan; Young, David James; Lu, Chengrong; Li, Hong-Xi; Ren, Zhi-Gang; Dalton transactions (Cambridge, England : 2003) 50 (2021) 6773–6777; doi:10.1039/d1dt00931a

data_7707307
_publ_section_title
;
 A photoluminescent Au(I)/Ag(I)/PNN coordination complex for relatively
 rapid and reversible alcohol sensing.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6773
_journal_page_last               6777
_journal_paper_doi               10.1039/d1dt00931a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C52 H40 Ag Au2 N8 P2, F6 P, 2(C2 H6 O)'
_chemical_formula_sum            'C56 H52 Ag Au2 F6 N8 O2 P3'
_chemical_formula_weight         1577.77
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-01-17 deposited with the CCDC.	2021-05-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.0308(15)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.4700(7)
_cell_length_b                   11.4324(6)
_cell_length_c                   19.0084(11)
_cell_measurement_reflns_used    9945
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.5164
_cell_measurement_theta_min      3.5643
_cell_volume                     2767.2(3)
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker ApexII'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
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_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            40293
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.516
_diffrn_reflns_theta_min         3.512
_exptl_absorpt_coefficient_mu    5.796
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5150
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction 
;
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_diffrn    1.894
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.200
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_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.054
_refine_diff_density_min         -1.464
_refine_diff_density_rms         0.102
_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         6241
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0251
_refine_ls_R_factor_gt           0.0243
_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^)+(0.0242P)^2^+4.8996P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0630
_refine_ls_wR_factor_ref         0.0634
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6046
_reflns_number_total             6241
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00931a3.cif
_cod_data_source_block           a_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7707306--7707307.cif.'
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               7707307
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.390
_shelx_estimated_absorpt_t_max   0.595
_shelx_res_checksum              84052
_shelx_hkl_checksum              34633