Crystallography Open Database

Information card for entry 4514292

Preview

Coordinates	4514292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 Br Cl11 N5 Ru
Calculated formula	C23 H23 Br Cl11 N5 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	10.6051 ± 0.0008 Å
b	10.7857 ± 0.0009 Å
c	16.5095 ± 0.0015 Å
α	93.576 ± 0.007°
β	102.19 ± 0.007°
γ	107.715 ± 0.007°
Cell volume	1742 ± 0.3 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 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	0.0782
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.1847
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	4514292.cif
203083	2017-11-11	cif/ Adding structures of 4514292 via cif-deposit CGI script.	4514292.cif