Addition Reaction-Induced Cluster-to-Cluster Transformation: Controlled Self-Assembly of Luminescent Polynuclear Gold(I) μ3-Sulfido Clusters.
Yao, Liao-Yuan; Hau, Franky Ka-Wah; Yam, Vivian Wing-Wah; Journal of the American Chemical Society 136 (2014) 10801–10806; doi:10.1021/ja505599v

data_4122277
_publ_section_title
;
 Addition Reaction-Induced Cluster-to-Cluster Transformation: Controlled
 Self-Assembly of Luminescent Polynuclear Gold(I) \m3-Sulfido Clusters.
;
_journal_issue                   30
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10801
_journal_page_last               10806
_journal_paper_doi               10.1021/ja505599v
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'C156 H136 Au12 P12 S6, 4(Cl)'
_chemical_formula_sum            'C156 H136 Au12 Cl4 P12 S6'
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 101.699(2)
_cell_angle_gamma                112.083(2)
_cell_formula_units_Z            1
_cell_length_a                   16.3705(19)
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_cell_length_c                   19.460(2)
_cell_measurement_temperature    303(2)
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      303(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
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_diffrn_reflns_limit_k_max       21
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_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    9.127
_exptl_absorpt_correction_T_max  0.401
_exptl_absorpt_correction_T_min  0.279
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2364
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         1.729
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     646
_refine_ls_number_reflns         18762
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_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^)+(0.0699P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1276
_reflns_number_gt                11963
_reflns_number_total             18762
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja505599v_si_003.cif
_cod_data_source_block           yly
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 4122276--4122277.cif.
;
_cod_original_cell_volume        4938.0(10)
_cod_database_code               4122277