[Ag(IPr)(bpy)][PF<sub>6</sub>]: brightness and darkness playing with aggregation induced phosphorescence for light-emitting electrochemical cells.
Giobbio, Ginevra; Coto, Pedro B.; Lohier, Jean-François; Renaud, Jean-Luc; Gaillard, Sylvain; Costa, Rubén D; Dalton transactions (Cambridge, England : 2003) 53 (2024) 12307–12315; doi:10.1039/d4dt01056f

data_7716390
_publ_section_title
;
 [Ag(IPr)(bpy)][PF<sub>6</sub>]: brightness and darkness playing with
 aggregation induced phosphorescence for light-emitting electrochemical
 cells.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12307
_journal_page_last               12315
_journal_paper_doi               10.1039/d4dt01056f
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C37 H44 Ag F6 N4 P'
_chemical_formula_sum            'C37 H44 Ag F6 N4 P'
_chemical_formula_weight         797.60
_chemical_name_systematic
;
(1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (2-2'-bipyridine) silver hexafluorophosphate
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-04-10 deposited with the CCDC.	2024-06-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.6677(4)
_cell_length_b                   17.2396(5)
_cell_length_c                   27.1830(5)
_cell_measurement_reflns_used    9921
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      34.05
_cell_measurement_theta_min      2.80
_cell_volume                     7342.3(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_unetI/netI     0.0400
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            92122
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         35.016
_diffrn_reflns_theta_min         1.909
_exptl_absorpt_coefficient_mu    0.655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs 2016/2'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_description       block
_exptl_crystal_F_000             3280
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   0.7469
_exptl_transmission_factor_min   0.6722
_refine_diff_density_max         0.469
_refine_diff_density_min         -0.548
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         16143
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0269P)^2^+2.7641P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0680
_refine_ls_wR_factor_ref         0.0757
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11798
_reflns_number_total             16143
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01056f2.cif
_cod_data_source_block           GIOBBIO3_0m_a
_cod_depositor_comments          'Adding full bibliography for 7716390.cif.'
_cod_database_code               7716390
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              16446
_shelx_hkl_checksum              87124