Luminescent silver(i) complexes with pyrazole-tetraphenylethene ligands: turn-on fluorescence due to the coordination-driven rigidification and solvent-oriented structural transformation.
Xu, Zou-Hong; Huang, Zi-Qing; Liu, Xiao-Hui; Zhao, Yue; Lu, Yi; Sun, Wei-Yin; Dalton transactions (Cambridge, England : 2003) 50 (2021) 2183–2191; doi:10.1039/d0dt04100a

data_7706376
_publ_section_title
;
 Luminescent silver(i) complexes with pyrazole-tetraphenylethene ligands:
 turn-on fluorescence due to the coordination-driven rigidification and
 solvent-oriented structural transformation.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2183
_journal_page_last               2191
_journal_paper_doi               10.1039/d0dt04100a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C38 H28 Ag2 N8, C H Cl2, 2(F6 P)'
_chemical_formula_sum            'C39 H30 Ag2 Cl2 F12 N8 P2'
_chemical_formula_weight         1187.29
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-12-01 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.202(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.5979(11)
_cell_length_b                   12.0244(7)
_cell_length_c                   17.0561(9)
_cell_measurement_reflns_used    9872
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      53.92
_cell_measurement_theta_min      3.71
_cell_volume                     4191.1(4)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_unetI/netI     0.0252
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15509
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.936
_diffrn_reflns_theta_min         3.711
_exptl_absorpt_coefficient_mu    6.925
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.5471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.882
_exptl_crystal_description       block
_exptl_crystal_F_000             2344
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.780
_refine_diff_density_min         -0.545
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         3786
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.190
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0421P)^2^+13.2304P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0855
_refine_ls_wR_factor_ref         0.0866
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3602
_reflns_number_total             3786
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt04100a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7706376--7706381.cif.'
_cod_database_code               7706376
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.607
_shelx_estimated_absorpt_t_min   0.490
_olex2_refinement_description
;
1. Others
 Fixed Sof: H21A(0.5) H21B(0.5) F3(0.5) F5(0.5) F4(0.4) F6(0.6) F5A(0.4)
 F4A(0.4) F3A(0.3) F6A(0.2) F4B(0.4) F5B(0.3)
 Fixed U12: C10(0) C11(0) C21(0)
 Fixed U23: C10(0) C11(0) C21(0)
 Fixed Uiso: H1(0.04) H2(0.042) H3(0.037) H5(0.031) H6(0.031) H8(0.031)
 H9(0.032) H13(0.035) H14(0.035) H16(0.035) H17(0.036) H18(0.041) H19(0.043)
 H20(0.039) H21A(0.053) H21B(0.053)
 Fixed X: H1(0.69011) H2(0.665771) H3(0.614552) H5(0.516389) H6(0.466037)
 H8(0.623226) H9(0.673884) C10(0.5) C11(0.5) H13(0.405703) H14(0.341162)
 H16(0.467444) H17(0.527595) H18(0.331321) H19(0.275513) H20(0.293185) C21(0.5)
 H21A(0.461395) H21B(0.538603)
 Fixed Y: H1(0.505615) H2(0.306222) H3(0.30523) H5(0.417843) H6(0.496106)
 H8(0.695055) H9(0.616487) H13(0.940569) H14(1.004717) H16(0.863022)
 H17(0.790051) H18(1.131251) H19(1.125941) H20(0.93537) H21A(0.684995)
 H21B(0.68499)
 Fixed Z: H1(-0.143005) H2(-0.116117) H3(0.009695) H5(0.05887) H6(0.161103)
 H8(0.217859) H9(0.116018) C10(0.25) C11(0.25) H13(0.234874) H14(0.328979)
 H16(0.50181) H17(0.406677) H18(0.453791) H19(0.576719) H20(0.632287) C21(0.75)
 H21A(0.751994) H21B(0.748007)
;