Photophysical properties of {[Ag(CN)2](-)}2 complexes trapped in a supramolecular electron-acceptor organic framework.
Ahern, John C.; Shilabin, Abbas; Henline, Kylie M.; Pike, Robert D.; Patterson, Howard H.; Dalton transactions (Cambridge, England : 2003) 43 (2014) 12044–12049; doi:10.1039/c4dt01110d

data_7031466
_publ_section_title
;
 Photophysical properties of {[Ag(CN)2](-)}2 complexes trapped in a
 supramolecular electron-acceptor organic framework.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12044
_journal_page_last               12049
_journal_paper_doi               10.1039/c4dt01110d
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         '(C22 H14 N6 O8), 2(Ag C2 N2), 2(H2 O)'
_chemical_formula_sum            'C26 H18 Ag2 N10 O10'
_chemical_formula_weight         846.24
_chemical_name_systematic
;
 ?
;
_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   mixed
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                83.0900(10)
_cell_angle_beta                 86.0110(10)
_cell_angle_gamma                79.6410(10)
_cell_formula_units_Z            3
_cell_length_a                   9.39140(10)
_cell_length_b                   12.4123(2)
_cell_length_c                   19.9936(2)
_cell_measurement_temperature    100(2)
_cell_volume                     2273.25(5)
_computing_cell_refinement       'SAINTPLUS (Bruker AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker AXS, 2004)'
_computing_data_reduction        SAINTPLUS
_computing_molecular_graphics    'SHELXLE (Hubschle, 2011)'
_computing_publication_material  'Mercury 3.1 (CCDC, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       '\w and \y'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_Laue_measured_fraction_full 0.958
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            38609
_diffrn_reflns_point_group_measured_fraction_full 0.958
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         66.986
_diffrn_reflns_theta_min         2.229
_exptl_absorpt_coefficient_mu    11.022
_exptl_absorpt_correction_T_max  0.2164
_exptl_absorpt_correction_T_min  0.0267
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2004)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_description       block
_exptl_crystal_F_000             1254
_exptl_crystal_size_max          0.561
_exptl_crystal_size_mid          0.304
_exptl_crystal_size_min          0.274
_refine_diff_density_max         2.381
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     667
_refine_ls_number_reflns         7878
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0528P)^2^+4.4904P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1027
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7727
_reflns_number_total             7878
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4dt01110d2.cif
_cod_data_source_block           P1bar
_cod_depositor_comments          'Adding full bibliography for 7031466.cif.'
_cod_database_code               7031466
_shelx_estimated_absorpt_t_min   0.063
_shelx_estimated_absorpt_t_max   0.152
_shelxl_version_number           2013-2
_shelx_res_checksum              27830