Crystallography Open Database

Information card for entry 4107024

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Structure parameters

Formula	C24 H29 B N P
Calculated formula	C24 H29 B N P
SMILES	C(C)(C)N(C(C)C)Bc1ccccc1P(c1ccccc1)c1ccccc1
Title of publication	Ruthenium Agostic (Phosphinoaryl)borane Complexes: Multinuclear Solid-State and Solution NMR, X-ray, and DFT Studies
Authors of publication	Yann Gloaguen; Gilles Alcaraz; Alban Petit; Eric Clot; Yannick Coppel; Laure Vendier; Sylviane Sabo-Etienne
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	17232 - 17238
a	17.343 ± 0.0004 Å
b	10.0641 ± 0.0007 Å
c	14.1425 ± 0.0006 Å
α	90°
β	92.541 ± 0.005°
γ	90°
Cell volume	2466 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 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	0.0609
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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