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_4115639
_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            'C28 H10 Ag16 F36 O29'
_chemical_formula_weight         3220.28
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                81.911(5)
_cell_angle_beta                 84.450(5)
_cell_angle_gamma                70.545(4)
_cell_formula_units_Z            2
_cell_length_a                   12.795(3)
_cell_length_b                   13.032(3)
_cell_length_c                   20.864(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3243.0(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_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  0.0588
_diffrn_reflns_av_sigmaI/netI    0.1229
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            22368
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    4.890
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.239
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.298
_exptl_crystal_description       prism
_exptl_crystal_F_000             2972
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.13
_refine_diff_density_max         2.027
_refine_diff_density_min         -2.233
_refine_diff_density_rms         0.312
_refine_ls_extinction_coef       0.00003(7)
_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   0.910
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     983
_refine_ls_number_reflns         15552
_refine_ls_number_restraints     120
_refine_ls_restrained_S_all      0.911
_refine_ls_R_factor_all          0.1500
_refine_ls_R_factor_gt           0.0750
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1188P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1866
_refine_ls_wR_factor_ref         0.2216
_reflns_number_gt                7255
_reflns_number_total             15552
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0043441_1.cif
_cod_data_source_block           compound1
_cod_original_cell_volume        3242.8(13)
_cod_database_code               4115639