Crystallography Open Database

Information card for entry 4514290

Preview

Coordinates	4514290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cl2 N8 Ru
Calculated formula	C20 H20 Cl2 N8 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	9.4232 ± 0.0007 Å
b	10.4405 ± 0.0005 Å
c	14.3166 ± 0.0012 Å
α	98.121 ± 0.006°
β	99.958 ± 0.007°
γ	116.027 ± 0.007°
Cell volume	1208.5 ± 0.18 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for significantly intense reflections	0.2203
Weighted residual factors for all reflections included in the refinement	0.2324
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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.	4514290.cif
203081	2017-11-11	cif/ Adding structures of 4514290 via cif-deposit CGI script.	4514290.cif