Crystallography Open Database

Information card for entry 4061679

Preview

Coordinates	4061679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H41 B F20 N P Ru
Calculated formula	C51 H41 B F20 N P Ru
SMILES	[RuH]123456([P](C7=C([N]1(C6)C)Cc1c7cccc1)(C(C)C)C(C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes
Journal of publication	Organometallics
Year of publication	2005
a	10.1928 ± 0.0007 Å
b	15.617 ± 0.0011 Å
c	16.3214 ± 0.0011 Å
α	79.3438 ± 0.0009°
β	72.1948 ± 0.0009°
γ	88.2354 ± 0.0009°
Cell volume	2430 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
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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