Crystallography Open Database

Information card for entry 4334279

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Structure parameters

Formula	C658 H826 Ag8 Au24 Cl20 O63 P24
Calculated formula	C658 H826 Ag8 Au24 Cl20 O63 P24
Title of publication	Sky-Blue Luminescent AuI-AgI Alkynyl-Phosphine Clusters
Authors of publication	Igor O. Koshevoy; Antti J. Karttunen; Ilya S. Kritchenkou; Dmitrii V. Krupenya; Stanislav I. Selivanov; Alexei S. Melnikov; Sergey P. Tunik; Matti Haukka; Tapani A. Pakkanen
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3663 - 3673
a	19.386 ± 0.003 Å
b	29.357 ± 0.005 Å
c	29.755 ± 0.005 Å
α	90°
β	90.469 ± 0.004°
γ	90°
Cell volume	16933 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4334279.cif
179445	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/42.	4334279.cif
100096	2014-02-04	cif/ Adding structures of 4334279 via cif-deposit CGI script.	4334279.cif