Silver(I) Multiple Salts Assembled with Phosphonate, Perfluorocarboxylate, and the Multinuclear Silver-Ethynediide Supramolecular Synthon
Ting Hu; Thomas C. W. Mak; Inorganic Chemistry 52 (2013) 9066–9076; doi:10.1021/ic401259r

data_4335658
_publ_section_title
;
 Silver(I) Multiple Salts Assembled with Phosphonate,
 Perfluorocarboxylate, and the Multinuclear Silver-Ethynediide
 Supramolecular Synthon
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9066
_journal_page_last               9076
_journal_paper_doi               10.1021/ic401259r
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C68 H44 Ag28 F20 O34 P8'
_chemical_formula_weight         5053.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           triclinic
_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                 120.295(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.5968(18)
_cell_length_b                   10.7337(7)
_cell_length_c                   42.179(3)
_cell_measurement_reflns_used    95565
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.732
_cell_measurement_theta_min      2.237
_cell_volume                     10006.1(13)
_computing_cell_refinement       SAINT(Bruker,2001)
_computing_data_collection       APEX2(Bruker,2003)
_computing_data_reduction        APEX2(Bruker,2003)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.1464
_diffrn_reflns_av_sigmaI/netI    0.1598
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_number            89720
_diffrn_reflns_theta_full        27.82
_diffrn_reflns_theta_max         27.82
_diffrn_reflns_theta_min         1.03
_exptl_absorpt_coefficient_mu    5.577
_exptl_absorpt_correction_T_max  0.5542
_exptl_absorpt_correction_T_min  0.4017
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.354
_exptl_crystal_description       block
_exptl_crystal_F_000             9360
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.843
_refine_diff_density_min         -2.284
_refine_diff_density_rms         0.500
_refine_ls_extinction_coef       0.000131(16)
_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   1.098
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1442
_refine_ls_number_reflns         23637
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.1288
_refine_ls_R_factor_gt           0.0796
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1768
_refine_ls_wR_factor_ref         0.2069
_reflns_number_gt                13926
_reflns_number_total             23637
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401259r_si_002_6.cif
_cod_data_source_block           6
_cod_original_cell_volume        10006.1(12)
_cod_database_code               4335658