Crystallography Open Database

Information card for entry 4075622

Preview

Coordinates	4075622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H48 B10 P2 Ru
Calculated formula	C45 H48 B10 P2 Ru
SMILES	[RuH]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[c]56[cH]4[cH]3[cH]2[c]16[C]1234[BH]678[BH]9%10%11[BH]%12%13%14[BH]%151([BH]1%16%13[BH]%13%10%12[BH]%1079[BH]726[BH]3%151[BH]%16%13%107)[C]48%11%14C5C
Title of publication	Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands
Authors of publication	Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	17
Pages of publication	4188
a	10.3347 ± 0.0015 Å
b	12.5767 ± 0.0018 Å
c	16.789 ± 0.002 Å
α	81.816 ± 0.003°
β	81.231 ± 0.003°
γ	84.432 ± 0.003°
Cell volume	2128.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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