An unprecedented (4,24)-connected metal‒organic framework sustained by nanosized Ag12 cuboctahedral node
Sun, Di; Li, Yun-Hua; Wu, Shu-Ting; Hao, Hong-Jun; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun; CrystEngComm 13 (2011) 7311–; doi:10.1039/c1ce05672g

data_7206813
_publ_section_title
;
 An unprecedented (4,24)-connected metal--organic framework sustained by
 nanosized Ag12 cuboctahedral node
;
_journal_issue                   24
_journal_name_full               CrystEngComm
_journal_page_first              7311
_journal_paper_doi               10.1039/c1ce05672g
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C7 H10 Ag2 N8 O4'
_chemical_formula_weight         485.97
_chemical_name_systematic
;
?
;
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :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            18
_cell_length_a                   22.1713(16)
_cell_length_b                   22.1713(16)
_cell_length_c                   16.947(2)
_cell_measurement_temperature    173(2)
_cell_volume                     7214.5(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0171
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            12124
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    2.468
_exptl_absorpt_correction_T_max  0.8084
_exptl_absorpt_correction_T_min  0.7993
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.013
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4212
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.576
_refine_diff_density_min         -0.457
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       0.000132(17)
_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   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     108
_refine_ls_number_reflns         1547
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0294
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0413P)^2^+48.1251P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0788
_refine_ls_wR_factor_ref         0.0796
_reflns_number_gt                1515
_reflns_number_total             1547
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05672g.txt
_cod_data_source_block           p1'-dehydration
_cod_original_cell_volume        7214.6(13)
_cod_database_code               7206813