Self-Assembled Silver Polyhedra with Embedded Acetylide Dianion Stabilized by Perfluorocarboxylate and 4-Hydroxyquinoline Ligands
Xiao-Li Zhao; Quan-Ming Wang; Thomas C. W. Mak; Inorganic Chemistry 42 (2003) 7872–7876; doi:10.1021/ic034595l

data_4312590
_publ_section_title
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 Self-Assembled Silver Polyhedra with Embedded Acetylide Dianion
 Stabilized by Perfluorocarboxylate and 4-Hydroxyquinoline Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7872
_journal_page_last               7876
_journal_paper_doi               10.1021/ic034595l
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C47 H21 Ag8 F30 N3 O17'
_chemical_formula_weight         2332.63
_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                 105.3500(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.4520(7)
_cell_length_b                   21.7398(9)
_cell_length_c                   18.7289(7)
_cell_measurement_temperature    293(2)
_cell_volume                     6459.7(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.1446
_diffrn_reflns_av_sigmaI/netI    0.1336
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            43673
_diffrn_reflns_theta_full        28.03
_diffrn_reflns_theta_max         28.03
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    2.526
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  -0.407968
_exptl_absorpt_correction_type   Sadabs
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4424
_exptl_crystal_size_max          0.78
_exptl_crystal_size_mid          0.51
_exptl_crystal_size_min          0.36
_refine_diff_density_max         2.285
_refine_diff_density_min         -1.384
_refine_diff_density_rms         0.169
_refine_ls_extinction_coef       0.00011(4)
_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     949
_refine_ls_number_reflns         15545
_refine_ls_number_restraints     146
_refine_ls_restrained_S_all      0.868
_refine_ls_R_factor_all          0.1615
_refine_ls_R_factor_gt           0.0707
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1169P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1837
_refine_ls_wR_factor_ref         0.2260
_reflns_number_gt                6051
_reflns_number_total             15545
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034595lsi20030826_024656_3.cif
_cod_data_source_block           compound3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4312590