Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates
Quan-Ming Wang; Thomas C. W. Mak; Journal of the American Chemical Society 123 (2001) 7594–7600; doi:10.1021/ja0043441

data_4115640
_publ_section_title
;
 Argentophilicity and Solvent-Induced Structural Diversity in Double Salts
 of Silver Acetylide with Silver Perfluoroalkyl Carboxylates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7594
_journal_page_last               7600
_journal_paper_doi               10.1021/ja0043441
_journal_volume                  123
_journal_year                    2001
_chemical_formula_sum            'C20 H9 Ag8 F18 N3 O12'
_chemical_formula_weight         1688.26
_chemical_name_systematic
;
 ?
;
_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                 121.8580(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.465(3)
_cell_length_b                   7.8927(6)
_cell_length_c                   31.241(2)
_cell_measurement_temperature    293(2)
_cell_volume                     7427.5(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0465
_diffrn_reflns_av_sigmaI/netI    0.0607
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            24087
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    4.275
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7322
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.020
_exptl_crystal_description       prism
_exptl_crystal_F_000             6272
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.545
_refine_diff_density_min         -2.645
_refine_diff_density_rms         0.221
_refine_ls_extinction_coef       0.00008(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         8557
_refine_ls_number_restraints     172
_refine_ls_restrained_S_all      0.950
_refine_ls_R_factor_all          0.1195
_refine_ls_R_factor_gt           0.0622
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1290P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1791
_refine_ls_wR_factor_ref         0.2104
_reflns_number_gt                4460
_reflns_number_total             8557
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0043441_2.cif
_cod_data_source_block           compound2
_cod_original_cell_volume        7427.5(9)
_cod_database_code               4115640