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_4115644
_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            'C26 H10 Ag8 F30 N2 O12'
_chemical_formula_weight         1975.32
_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                 93.486(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.685(3)
_cell_length_b                   16.439(4)
_cell_length_c                   25.220(6)
_cell_measurement_temperature    293(2)
_cell_volume                     4836(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0724
_diffrn_reflns_av_sigmaI/netI    0.1048
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            32153
_diffrn_reflns_theta_full        28.12
_diffrn_reflns_theta_max         28.12
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    3.339
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.458
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.713
_exptl_crystal_description       block
_exptl_crystal_F_000             3688
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.892
_refine_diff_density_min         -0.910
_refine_diff_density_rms         0.150
_refine_ls_extinction_coef       0.00013(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   0.864
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     704
_refine_ls_number_reflns         11707
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      0.867
_refine_ls_R_factor_all          0.1365
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0666P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1442
_reflns_number_gt                5001
_reflns_number_total             11707
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0043441_6.cif
_cod_data_source_block           compound6
_cod_original_cell_volume        4835.6(19)
_cod_database_code               4115644