Novel layer-type triple salts of silver(i), AgCN·AgF·4AgCF3CO2·2L (L = MeCN or H2O)
Wang, Quan-Ming; Mak, Thomas C. W.; Chemical Communications  (2000) 1435–; doi:10.1039/b003821k

data_7111008
_publ_section_title
;
 Novel layer-type triple salts of silver(i),
 AgCN&#x00B7;AgF&#x00B7;4AgCF3CO2&#x00B7;2L (L = MeCN or H2O)
;
_journal_issue                   15
_journal_name_full               'Chemical Communications'
_journal_page_first              1435
_journal_paper_doi               10.1039/b003821k
_journal_year                    2000
_chemical_formula_sum            'C9 H4 Ag6 F13 N O10'
_chemical_formula_weight         1180.35
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 90.002(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.4455(17)
_cell_length_b                   9.9378(7)
_cell_length_c                   9.8962(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2305.8(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_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  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17536
_diffrn_reflns_theta_full        30.04
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         0.87
_exptl_absorpt_coefficient_mu    5.149
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6628
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.400
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.972
_refine_diff_density_min         -0.984
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       0.00121(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   0.953
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         6532
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.953
_refine_ls_R_factor_all          0.0741
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0470P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0867
_refine_ls_wR_factor_ref         0.0996
_reflns_number_gt                3986
_reflns_number_total             6532
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b003821ksup1.cif
_cod_data_source_block           N14
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7111008