Crystallography Open Database

Information card for entry 4300539

Preview

Coordinates	4300539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H63 Mo N7 O5 S4
Calculated formula	C38 H63 Mo N7 O5 S4
SMILES	[Mo]12(Sc3c(S1)c(NC(=O)C)ccc3NC(=O)C)(Sc1c(S2)c(NC(=O)C)ccc1NC(=O)C)=O.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	15.189 ± 0.004 Å
b	14.488 ± 0.004 Å
c	21.159 ± 0.004 Å
α	90°
β	100.936 ± 0.018°
γ	90°
Cell volume	4571 ± 2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
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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