Crystallography Open Database

Information card for entry 4075623

Preview

Coordinates	4075623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H52 B10 P2 Ru
Calculated formula	C47 H52 B10 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[c]46C)[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
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	17.534 ± 0.001 Å
b	12.2962 ± 0.0007 Å
c	21.3743 ± 0.0011 Å
α	90°
β	102.497 ± 0.001°
γ	90°
Cell volume	4499.1 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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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