Crystallography Open Database

Information card for entry 4314768

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Structure parameters

Formula	Au12 K23 Sn9
Calculated formula	Au12 K23 Sn9
SMILES	[Au]1[Sn]2[Au][Sn][Au][Sn]3[Au][Sn]41[Au][Sn]([Au][Sn][Au][Sn]([Au]4)[Au][Sn][Au]2)[Au][Sn][Au]3.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
Title of publication	K23Au12Sn9-An Intermetallic Compound Containing a Large Gold-Tin Cluster: Synthesis, Structure, and Bonding
Authors of publication	Bin Li; Sung-Jin Kim; Gordon J. Miller; John D. Corbett
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1503 - 1509
a	20.834 ± 0.003 Å
b	20.834 ± 0.003 Å
c	6.8183 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2959.5 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301837 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure.	4314768.cif
179227	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/47.	4314768.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314768.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314768.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4314768.cif
7911	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314768 via cif-deposit CGI script.	4314768.cif