Crystallography Open Database

Information card for entry 4063125

Preview

Coordinates	4063125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H54 Cr N6
Calculated formula	C54 H54 Cr N6
SMILES	[N](#C[Cr](C#[N]c1c(cccc1C)C)(C#[N]c1c(cccc1C)C)(C#[N]c1c(C)cccc1C)(C#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)C)c1c(cccc1C)C
Journal of publication	Organometallics
Year of publication	2004
a	10.761 ± 0.006 Å
b	11.709 ± 0.006 Å
c	11.885 ± 0.005 Å
α	108.78 ± 0.04°
β	102.63 ± 0.05°
γ	114.25 ± 0.04°
Cell volume	1181.1 ± 1 Å³
Cell temperature	233 K
Ambient diffraction temperature	233 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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