[8,8'-(Propane-1,3-diyldioxy)diquinoline-κ^4^<i>N,O,O</i>',<i>N</i>']silver(I) trifluoromethanesulfonate
An-Wu Xu; Yue-Peng Cai; Li-Zhi Zhang; Cheng-Yong Su; Bei-Sheng Kang; Acta Crystallographica Section E 58 (2002) m770–m771; doi:10.1107/S1600536802021529

data_2201693
_publ_section_title
;[8,8'-(Propane-1,3-diyldioxy)diquinoline-\k^4^<i>N,O,O</i>',<i>N</i>']silver(I)
 trifluoromethanesulfonate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m770
_journal_page_last               m771
_journal_paper_doi               10.1107/S1600536802021529
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Ag (C21 H18 N2 O2)] (C F3 O3 S)'
_chemical_formula_moiety         'C21 H18 Ag1 N2 O2 Ag 1+, C F3 O3 S1 1-'
_chemical_formula_sum            'C22 H18 Ag F3 N2 O5 S'
_chemical_formula_weight         587.31
_chemical_melting_point          'decomposition at about 188\%C'
_chemical_name_common
;
[8,8'-(Propane-1,3-diyldioxy)diquinoline-\k^4^N,O,O',N']silver(I)
trifluoromethanesulfonate
;
_chemical_name_systematic
;
[8,8'-(Propane-1,3-diyldioxy)diquinoline-\k^4^N,O,O',N']silver(I)
trifluoromethanesulfonate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.828(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.9899(11)
_cell_length_b                   13.3576(11)
_cell_length_c                   15.2317(10)
_cell_measurement_reflns_used    5699
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      55.016
_cell_measurement_theta_min      4.799
_cell_volume                     4344.4(5)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    'XP in SHELXTL'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.939
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'Bruker CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            12912
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.80
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.089
_exptl_absorpt_correction_T_max  0.897
_exptl_absorpt_correction_T_min  0.664
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.961
_refine_diff_density_min         -0.998
_refine_ls_extinction_coef       0.00076(13)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         5118
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.068P)^2^+0.8339P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1154
_refine_ls_wR_factor_ref         0.1225
_reflns_number_gt                3801
_reflns_number_total             5118
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ww6050.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2201693
_cod_database_fobs_code          2201693