Crystallography Open Database

Information card for entry 4511614

Preview

Coordinates	4511614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H67 Br0.65 Cl0.35 N7 O P Ru
Calculated formula	C60 H67 Br0.65 Cl0.35 N7 O P Ru
Title of publication	Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties
Authors of publication	Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.
Journal of publication	ACS Catalysis
Year of publication	2014
Journal volume	4
Journal issue	8
Pages of publication	2667
a	10.6089 ± 0.0003 Å
b	15.4581 ± 0.0002 Å
c	18.9255 ± 0.0004 Å
α	70.365 ± 0.001°
β	88.255 ± 0.001°
γ	84.453 ± 0.001°
Cell volume	2909.49 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179663 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16.	4511614.cif
121127	2014-08-05	cif/ Updating files of 4511609, 4511610, 4511611, 4511612, 4511613, 4511614 Original log message: Adding full bibliography for 4511609--4511614.cif.	4511614.cif
120078	2014-07-12	cif/ Adding structures of 4511609, 4511610, 4511611, 4511612, 4511613, 4511614 via cif-deposit CGI script.	4511614.cif