Crystallography Open Database

Information card for entry 4000622

Preview

Coordinates	4000622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H54 Cu4 P2 S4
Calculated formula	C22 H54 Cu4 P2 S4
SMILES	[Cu]1([S](C(C)(C)C)[Cu][S]([Cu]([S](C(C)(C)C)[Cu][S]1C(C)(C)C)[P](C)(C)C)C(C)(C)C)[P](C)(C)C
Title of publication	Synthesis and structure of a calcium polyphosphate with a unique criss-cross arrangement of helical phosphate chains
Journal of publication	Chemistry of Materials
Year of publication	2005
a	10.086 ± 0.002 Å
b	17.585 ± 0.005 Å
c	10.811 ± 0.003 Å
α	90°
β	111.538 ± 0.007°
γ	90°
Cell volume	1783.5 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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