Crystallography Open Database

Information card for entry 7034040

Preview

Coordinates	7034040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H42 F6 N7 O2.5 P Ru
Calculated formula	C35 H42 F6 N7 O2.5 P Ru
Title of publication	Fixation of atmospheric carbon dioxide by ruthenium complexes bearing an NHC-based pincer ligand: formation of a methylcarbonato complex and its methylation.
Authors of publication	Arikawa, Yasuhiro; Nakamura, Takuo; Ogushi, Shinji; Eguchi, Kazushige; Umakoshi, Keisuke
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	12
Pages of publication	5303 - 5305
a	10.495 ± 0.003 Å
b	12.179 ± 0.004 Å
c	15.393 ± 0.005 Å
α	83.468 ± 0.009°
β	85.291 ± 0.011°
γ	79.745 ± 0.01°
Cell volume	1919.7 ± 1 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7034040.cif
135018	2015-04-06	cif/ Updating files of 7034038, 7034039, 7034040, 7034041, 7034042 Original log message: Adding full bibliography for 7034038--7034042.cif.	7034040.cif
131817	2015-02-13	cif/ Adding structures of 7034038, 7034039, 7034040, 7034041, 7034042 via cif-deposit CGI script.	7034040.cif