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_4312589
_publ_section_title
;
 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            'C34 H21 Ag4 F9 N3 O9'
_chemical_formula_weight         1218.02
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   15.5003(5)
_cell_length_b                   15.5003(5)
_cell_length_c                   28.8326(14)
_cell_measurement_temperature    293(2)
_cell_volume                     5999.2(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0184
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            13528
_diffrn_reflns_theta_full        28.02
_diffrn_reflns_theta_max         28.02
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    2.026
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.553249
_exptl_absorpt_correction_type   Sadabs
_exptl_crystal_colour            Block
_exptl_crystal_density_diffrn    2.023
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Colorless
_exptl_crystal_F_000             3522
_exptl_crystal_size_max          0.71
_exptl_crystal_size_mid          0.69
_exptl_crystal_size_min          0.52
_refine_diff_density_max         1.462
_refine_diff_density_min         -1.358
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       0.00079(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   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     212
_refine_ls_number_reflns         3240
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0374
_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^)+(0.0359P)^2^+23.1260P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.0959
_reflns_number_gt                2658
_reflns_number_total             3240
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034595lsi20030826_024656_2.cif
_cod_data_source_block           compound2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' 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_original_sg_symbol_H-M      'R -3'
_cod_database_code               4312589