Silver cages with encapsulated acetylenediide as building blocks for hydrothermal synthesis of supramolecular complexes with n-cyanopyridine and pyridine-n-carboxamide (n=3, 4).
Zhao, Xiao-Li; Mak, Thomas C. W.; Dalton transactions (Cambridge, England : 2003)  (2004) 3212–3217; doi:10.1039/B406711H

data_7031089
_publ_section_title
;
 Silver cages with encapsulated acetylenediide as building blocks for
 hydrothermal synthesis of supramolecular complexes with n-cyanopyridine
 and pyridine-n-carboxamide (n=3, 4).
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3212
_journal_page_last               3217
_journal_paper_doi               10.1039/B406711H
_journal_year                    2004
_chemical_formula_sum            'C16 H10 Ag6 F12 N2 O11'
_chemical_formula_weight         1281.45
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 128.0610(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.1547(10)
_cell_length_b                   24.0752(12)
_cell_length_c                   15.3635(8)
_cell_measurement_temperature    293(2)
_cell_volume                     5869.6(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 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0240
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20199
_diffrn_reflns_theta_full        28.01
_diffrn_reflns_theta_max         28.01
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    4.057
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.530587
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.891
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4752
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.38
_refine_diff_density_max         1.551
_refine_diff_density_min         -1.606
_refine_diff_density_rms         0.153
_refine_ls_extinction_coef       0.00082(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   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         7080
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0422
_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^)+(0.0629P)^2^+34.4806P] where
P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1096
_refine_ls_wR_factor_ref         0.1165
_reflns_number_gt                5923
_reflns_number_total             7080
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b406711h.txt
_cod_data_source_block           compound_2
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7031089