Intercalation of Alcohols in Ag Sulfonates: Topotactic Behavior Despite Flexible Layers
Adrien P. Côté; Michael J. Ferguson; Kashif A. Khan; Gary D. Enright; Angela D. Kulynych; Sean A. Dalrymple; George K. H. Shimizu; Inorganic Chemistry 41 (2002) 287–292; doi:10.1021/ic010800q

data_4317429
_publ_section_title
;
 Intercalation of Alcohols in Ag Sulfonates: Topotactic Behavior Despite
 Flexible Layers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              287
_journal_page_last               292
_journal_paper_doi               10.1021/ic010800q
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C4 H6 Ag2 F6 O7 S2'
_chemical_formula_weight         559.95
_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                116.869(10)
_cell_angle_beta                 90.460(10)
_cell_angle_gamma                99.586(10)
_cell_formula_units_Z            2
_cell_length_a                   5.345(7)
_cell_length_b                   11.3098(15)
_cell_length_c                   12.0044(16)
_cell_measurement_temperature    173(2)
_cell_volume                     635.4(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.0553
_diffrn_reflns_av_sigmaI/netI    0.0708
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7474
_diffrn_reflns_theta_full        28.77
_diffrn_reflns_theta_max         28.77
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    3.516
_exptl_absorpt_correction_T_max  0.9019
_exptl_absorpt_correction_T_min  0.3337
_exptl_crystal_density_diffrn    2.926
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.198
_refine_diff_density_min         -1.339
_refine_diff_density_rms         0.233
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     195
_refine_ls_number_reflns         3228
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0529
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0421P)^2^+3.0532P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1217
_refine_ls_wR_factor_ref         0.1300
_reflns_number_gt                2661
_reflns_number_total             3228
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010800q.cif
_cod_data_source_block           gks17
_cod_original_cell_volume        635.5(8)
_cod_database_code               4317429