Size-confined growth of atom-precise nanoclusters in metal-organic frameworks and their catalytic applications.
Liu, Lingli; Song, Yongbo; Chong, Hanbao; Yang, Sha; Xiang, Ji; Jin, Shan; Kang, Xi; Zhang, Jun; Yu, Haizhu; Zhu, Manzhou; Nanoscale 8 (2016) 1407–1412; doi:10.1039/c5nr06930k

data_1540703
_publ_section_title
;
 Size-confined growth of atom-precise nanoclusters in metal-organic
 frameworks and their catalytic applications.
;
_journal_issue                   3
_journal_name_full               Nanoscale
_journal_page_first              1407
_journal_page_last               1412
_journal_paper_doi               10.1039/c5nr06930k
_journal_volume                  8
_journal_year                    2016
_chemical_formula_sum            'C180 H150 Ag12 Au13 Cl8 P10'
_chemical_formula_weight         6761.30
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_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                 127.438(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   47.6239(19)
_cell_length_b                   16.6379(7)
_cell_length_c                   36.1489(13)
_cell_measurement_temperature    296(2)
_cell_volume                     22742.9(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(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  0.0726
_diffrn_reflns_av_sigmaI/netI    0.0761
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -57
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            84995
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    9.556
_exptl_absorpt_correction_T_max  0.3282
_exptl_absorpt_correction_T_min  0.2640
_exptl_crystal_density_diffrn    1.975
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             12428
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_platon_squeeze_details
;
;
_refine_diff_density_max         3.185
_refine_diff_density_min         -5.186
_refine_diff_density_rms         0.215
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     783
_refine_ls_number_reflns         21168
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0896
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0825P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1475
_refine_ls_wR_factor_ref         0.1592
_reflns_number_gt                12669
_reflns_number_total             21168
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5nr06930k2.cif
_cod_data_source_block           00
_cod_depositor_comments          'Adding full bibliography for 1540703.cif.'
_cod_original_cell_volume        22742.9(16)
_cod_database_code               1540703