Crystallography Open Database

Information card for entry 4065548

Preview

Coordinates	4065548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H52 N2 O Ru
Calculated formula	C37 H52 N2 O Ru
SMILES	[Ru]1234(O)(=C5N(C=CN5c5c(cccc5C(C)C)C(C)C)c5c(cccc5C(C)C)C(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
Title of publication	Ruthenium Hydroxide Complexes in the Racemization of Secondary Alcohols
Authors of publication	Nun, Pierrick; Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	23
Pages of publication	6347
a	23.55 ± 0.005 Å
b	17.464 ± 0.004 Å
c	16.528 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6798 ± 2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	0.805
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4065548.html