New highly fluorescent silver complexes and their thin films obtained by spin coating method
Barwiolek, Magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Szczesny, Robert; Babinska, Magdalena; Skowronski, Lukasz; Szlyk, Edward; New Journal of Chemistry 42 (2018) 18559–; doi:10.1039/C8NJ03801E

data_7057813
_publ_section_title
;
 New highly fluorescent silver complexes and their thin films obtained by
 spin coating method
;
_journal_issue                   23
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              18559
_journal_paper_doi               10.1039/C8NJ03801E
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety         'C12 H11 Ag Br N3 O3 S'
_chemical_formula_sum            'C12 H11 Ag Br N3 O3 S'
_chemical_formula_weight         465.08
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2018-05-06 deposited with the CCDC.
2018-10-09 downloaded from the CCDC.
;
_cell_angle_alpha                70.602(6)
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_cell_angle_gamma                68.444(6)
_cell_formula_units_Z            2
_cell_length_a                   8.7498(4)
_cell_length_b                   9.3160(6)
_cell_length_c                   10.2463(6)
_cell_measurement_reflns_used    3394
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.123
_cell_measurement_theta_min      2.483
_cell_volume                     732.27(8)
_computing_cell_refinement       'Oxford Diffraction CrysAlis'
_computing_data_collection       'Oxford Diffraction CrysAlis'
_computing_data_reduction        'Oxford Diffraction CrysAlis'
_computing_publication_material  'CIFTAB (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELX-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.2564
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measurement_device_type  'Oxford Sapphire CCD'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.888
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       11
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_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4369
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.888
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.123
_diffrn_reflns_theta_min         2.483
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.259
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.40750
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'Oxford Diffraction CrysAlis'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.109
_exptl_crystal_description       needle
_exptl_crystal_F_000             452
_exptl_crystal_size_max          0.370
_exptl_crystal_size_mid          0.318
_exptl_crystal_size_min          0.270
_refine_diff_density_max         1.055
_refine_diff_density_min         -1.025
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         3185
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0393
_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^)+(0.0848P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1079
_refine_ls_wR_factor_ref         0.1106
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2711
_reflns_number_total             3185
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj03801e2.cif
_cod_data_source_block           mb1
_cod_depositor_comments
'Adding full bibliography for 7057813--7057814.cif.'
_cod_database_code               7057813
_shelx_estimated_absorpt_t_min   0.301
_shelx_estimated_absorpt_t_max   0.393
_shelxl_version_number           2014-3
_shelx_res_checksum              13702
_shelx_hkl_checksum              56182