Crystallography Open Database

Information card for entry 4060704

Preview

Coordinates	4060704.cif

Structure parameters

Formula	C47 H56 N4 O2 Ru S
Calculated formula	C47 H56 N4 O2 Ru S
SMILES	[RuH](SCCC)(C#[O])(C#[O])(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Journal of publication	Organometallics
Year of publication	2003
a	11.745 ± 0.0001 Å
b	15.331 ± 0.0001 Å
c	25.205 ± 0.0002 Å
α	90°
β	101.755 ± 0.001°
γ	90°
Cell volume	4443.29 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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