Crystallography Open Database

Information card for entry 4075621

Preview

Coordinates	4075621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H54 B10 O0.5 P2 Ru
Calculated formula	C48 H50 B10 O0.5 P2 Ru
SMILES	[RuH]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[c]56C([C]789%10[C]%11%12%13([c]15[cH]2[cH]3[cH]46)[BH]127[BH]348[BH]569[BH]7%10%11[BH]896[BH]645[BH]423[BH]2%121[BH]%1378[BH]9642)(C)C.c1ccco1
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	13.317 ± 0.003 Å
b	16.389 ± 0.003 Å
c	23.527 ± 0.005 Å
α	93.51 ± 0.03°
β	100.28 ± 0.03°
γ	109.95 ± 0.03°
Cell volume	4708 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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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