An anionic silver(i) column containing a novel asymmetric double cage with embedded acetylenediide and unprecedented μ~5~-ligation of the nitrate ion
Wang, Quan-Ming; Mak, Thomas C. W.; Dalton Transactions  (2003) 25–27; doi:10.1039/b210057f

data_7012330
_publ_section_title
;
 An anionic silver(i) column containing a novel asymmetric double cage
 with embedded acetylenediide and unprecedented \m~5~-ligation of the
 nitrate ion
;
_journal_issue                   1
_journal_name_full               'Dalton Transactions'
_journal_page_first              25
_journal_page_last               27
_journal_paper_doi               10.1039/b210057f
_journal_year                    2003
_chemical_formula_sum            'C76 H72 Ag17 F48 N5 O39'
_chemical_formula_weight         4425.18
_chemical_name_systematic        ?
_space_group_IT_number           2
_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                88.3270(10)
_cell_angle_beta                 72.5820(10)
_cell_angle_gamma                83.7880(10)
_cell_formula_units_Z            2
_cell_length_a                   14.4540(8)
_cell_length_b                   20.4470(11)
_cell_length_c                   22.2631(12)
_cell_measurement_temperature    293(2)
_cell_volume                     6241.1(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_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  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0549
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            42427
_diffrn_reflns_theta_full        28.02
_diffrn_reflns_theta_max         28.02
_diffrn_reflns_theta_min         1.00
_exptl_absorpt_coefficient_mu    2.746
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.608
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.355
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4212
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.36
_refine_diff_density_max         3.053
_refine_diff_density_min         -1.465
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1634
_refine_ls_number_reflns         29564
_refine_ls_number_restraints     498
_refine_ls_restrained_S_all      0.954
_refine_ls_R_factor_all          0.1132
_refine_ls_R_factor_gt           0.0610
_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^)+(0.1168P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1677
_refine_ls_wR_factor_ref         0.1990
_reflns_number_gt                15843
_reflns_number_total             29564
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b210057f.txt
_cod_data_source_block           p73
_cod_database_code               7012330