Crystallography Open Database

Information card for entry 4061678

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Coordinates	4061678.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	[Ru]123456789([c]%10%11[c]5(CC(N(C)C)=C%10P(C(C)C)C(C)C)[cH]4[cH]3[cH]2[cH]1%11)[c]1([c]9([c]8([c]7([c]61C)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	12.0071 ± 0.0008 Å
b	13.0736 ± 0.0009 Å
c	16.2792 ± 0.0011 Å
α	99.1898 ± 0.0009°
β	94.1443 ± 0.0009°
γ	104.207 ± 0.0009°
Cell volume	2428.8 ± 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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