From {au(i)···au(i)}-coupled cages to the cage-built 2-d {au(i)···au(i)} arrays: au(i)···au(i) bonding interaction driven self-assembly and their ag(i) sensing and photo-switchable behavior.
Jiang, Xuan-Feng; Hau, Franky Ka-Wah; Sun, Qing-Fu; Yu, Shu-Yan; Yam, Vivian Wing-Wah; Journal of the American Chemical Society 136 (2014) 10921–10929; doi:10.1021/ja502295c

data_4122326
_publ_section_title
;
 From {au(i)&#x00B7;&#x00B7;&#x00B7;au(i)}-coupled cages to the cage-built
 2-d {au(i)&#x00B7;&#x00B7;&#x00B7;au(i)} arrays:
 au(i)&#x00B7;&#x00B7;&#x00B7;au(i) bonding interaction driven
 self-assembly and their ag(i) sensing and photo-switchable behavior.
;
_journal_issue                   31
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10921
_journal_page_last               10929
_journal_paper_doi               10.1021/ja502295c
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'C304 H320 Au16 N16 O16 S32'
_chemical_formula_sum            'C304 H320 Au16 N16 O16 S32'
_chemical_formula_weight         8631.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           41
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A b a 2'
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   36.0360(10)
_cell_length_b                   21.7320(10)
_cell_length_c                   41.308(3)
_cell_measurement_temperature    291(2)
_cell_volume                     32350(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.75010
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0554
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            40114
_diffrn_reflns_theta_full        24.67
_diffrn_reflns_theta_max         24.67
_diffrn_reflns_theta_min         1.19
_exptl_absorpt_coefficient_mu    8.515
_exptl_absorpt_correction_T_max  0.5857
_exptl_absorpt_correction_T_min  0.4669
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             16640
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.683
_refine_diff_density_min         -1.294
_refine_diff_density_rms         0.140
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.050(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1702
_refine_ls_number_reflns         21888
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0427
_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^)+(0.06P)^2^+1.88P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.0966
_reflns_number_gt                19635
_reflns_number_total             21888
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja502295c_si_002.cif
_cod_data_source_block           aaa
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4122324--4122326.cif.
;
_cod_original_sg_symbol_Hall     'A 2 -2ac '
_cod_original_sg_symbol_H-M      'Aba2 '
_cod_database_code               4122326