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_4115643
_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            'C35 H11 Ag11 F45 N3 O19'
_chemical_formula_weight         2819.04
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 94.935(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0830(12)
_cell_length_b                   19.9707(15)
_cell_length_c                   21.9940(16)
_cell_measurement_temperature    293(2)
_cell_volume                     7038.0(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0521
_diffrn_reflns_av_sigmaI/netI    0.1067
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            48704
_diffrn_reflns_theta_full        28.05
_diffrn_reflns_theta_max         28.05
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    3.169
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.720
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.660
_exptl_crystal_description       block
_exptl_crystal_F_000             5264
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.067
_refine_diff_density_min         -0.994
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       0.0290(4)
_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   0.816
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     999
_refine_ls_number_reflns         16969
_refine_ls_number_restraints     238
_refine_ls_restrained_S_all      0.838
_refine_ls_R_factor_all          0.0939
_refine_ls_R_factor_gt           0.0478
_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^)+(0.0709P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1241
_refine_ls_wR_factor_ref         0.1338
_reflns_number_gt                7665
_reflns_number_total             16969
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0043441_5.cif
_cod_data_source_block           compound5
_cod_database_code               4115643