Crystallography Open Database

Information card for entry 7134174

Preview

Coordinates	7134174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 Cl2 N5 O Ru
Calculated formula	C17 H27 Cl2 N5 O Ru
Title of publication	Formic acid dehydrogenation catalysed by a novel amino-di(N-heterocyclic carbene) based Ru-CNC pincer complex.
Authors of publication	Aufricht, Patricia; Nori, Valeria; Rabell, Brenda; Piccirilli, Luca; Koranchalil, Sakhitha; W Larsen, René; Nielsen, Mathias T.; Nielsen, Martin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	20
Pages of publication	3986 - 3989
a	10.1376 ± 0.0002 Å
b	15.2198 ± 0.0002 Å
c	13.6429 ± 0.0002 Å
α	90°
β	93.669 ± 0.002°
γ	90°
Cell volume	2100.68 ± 0.06 Å³
Cell temperature	119.99 ± 0.18 K
Ambient diffraction temperature	119.99 ± 0.18 K
Number of distinct elements	6
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	0.0379
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298776 (current)	2025-04-05	cif/ Updating files of 7134174 Original log message: Adding full bibliography for 7134174.cif.	7134174.cif
297332	2025-01-16	cif/ Adding structures of 7134174 via cif-deposit CGI script.	7134174.cif