Crystallography Open Database

Information card for entry 4514291

Preview

Coordinates	4514291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Cl2 N2 O3.95 Ru
Calculated formula	C24 H22 Cl2 N2 O3.95 Ru
Title of publication	Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes
Authors of publication	Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida
Journal of publication	ACS Catalysis
Year of publication	2017
Journal volume	7
Journal issue	12
Pages of publication	8394
a	6.9529 ± 0.0002 Å
b	11.5712 ± 0.0007 Å
c	16.87 ± 0.0013 Å
α	92.79 ± 0.006°
β	99.326 ± 0.004°
γ	96.309 ± 0.004°
Cell volume	1328.14 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.1093
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1942
Weighted residual factors for all reflections included in the refinement	0.2107
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
203976 (current)	2017-12-05	cif/ Updating files of 4514290, 4514291, 4514292 Original log message: Adding full bibliography for 4514290--4514292.cif.	4514291.cif
203082	2017-11-11	cif/ Adding structures of 4514291 via cif-deposit CGI script.	4514291.cif