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_7057814
_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         'C42 H28 Ag N4, N O3'
_chemical_formula_sum            'C42 H28 Ag N5 O3'
_chemical_formula_weight         758.56
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2018-04-04 deposited with the CCDC.
2018-10-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.806(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7674(5)
_cell_length_b                   18.6110(11)
_cell_length_c                   20.4404(10)
_cell_measurement_reflns_used    6555
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.5319
_cell_measurement_theta_min      1.9904
_cell_volume                     3323.5(3)
_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 0.906
_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  0.0554
_diffrn_reflns_av_unetI/netI     0.0945
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.906
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23871
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.906
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.527
_diffrn_reflns_theta_min         2.189
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.657
_exptl_absorpt_correction_T_max  0.81108
_exptl_absorpt_correction_T_min  0.408651
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'Oxford Diffraction CrysAlis'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.407
_exptl_crystal_size_mid          0.146
_exptl_crystal_size_min          0.043
_refine_diff_density_max         0.257
_refine_diff_density_min         -0.354
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.814
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         7662
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.814
_refine_ls_R_factor_all          0.0921
_refine_ls_R_factor_gt           0.0347
_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^)+(0.0240P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0532
_refine_ls_wR_factor_ref         0.0607
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4162
_reflns_number_total             7662
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj03801e2.cif
_cod_data_source_block           e1146a
_cod_depositor_comments
'Adding full bibliography for 7057813--7057814.cif.'
_cod_database_code               7057814
_shelx_estimated_absorpt_t_min   0.776
_shelx_estimated_absorpt_t_max   0.972
_shelxl_version_number           2014-3
_shelx_res_checksum              32518
_shelx_hkl_checksum              45537