Fast and reversible solvent-vapor-induced 1D to 2D transformation in emissive Ag(I)-organic networks
Rogovoy, Maxim; Rakhmanova, Marianna I.; Sadykov, Evgeniy; Carignan, Gia M.; Bagryanskaya, Irina Yu.; Li, Jing; Artem'ev, Alexander; Chemical Communications  (2023) –; doi:10.1039/D3CC03540A

data_7132062
_publ_section_title
;
 Fast and reversible solvent-vapor-induced 1D to 2D transformation in
 emissive Ag(I)-organic networks
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D3CC03540A
_journal_year                    2023
_chemical_formula_moiety         'C39 H32 Ag3 F9 N6 O9 P2 S3'
_chemical_formula_sum            'C39 H32 Ag3 F9 N6 O9 P2 S3'
_chemical_formula_weight         1381.43
_chemical_name_systematic
'trifluoromethanesulfonate with  diphenyl(2-pyrimidyl)phosphine'
_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-08-05 deposited with the CCDC.	2023-08-25 downloaded from the CCDC.
;
_cell_angle_alpha                80.516(6)
_cell_angle_beta                 78.591(6)
_cell_angle_gamma                85.057(6)
_cell_formula_units_Z            2
_cell_length_a                   9.1210(10)
_cell_length_b                   14.6228(19)
_cell_length_c                   19.074(3)
_cell_measurement_reflns_used    4468
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.16
_cell_measurement_theta_min      2.20
_cell_volume                     2455.9(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1024
_diffrn_reflns_av_unetI/netI     0.1153
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            43523
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.156
_diffrn_reflns_theta_min         2.204
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.469
_exptl_absorpt_correction_T_max  0.9280
_exptl_absorpt_correction_T_min  0.8409
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.868
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.423
_refine_diff_density_min         -0.697
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     642
_refine_ls_number_reflns         9706
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.1366
_refine_ls_R_factor_gt           0.0573
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0431P)^2^+0.4855P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0913
_refine_ls_wR_factor_ref         0.1128
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5395
_reflns_number_total             9706
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3cc03540a5.cif
_cod_data_source_block           2_mr94_5
_cod_original_cell_volume        2455.8(5)
_cod_database_code               7132062
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.386
_shelx_estimated_absorpt_t_max   0.971
_shelx_res_checksum              27928
_shelx_hkl_checksum              92518