Crystallography Open Database

Information card for entry 7034042

Preview

Coordinates	7034042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H39 F12 N9 P2 Ru
Calculated formula	C33 H39 F12 N9 P2 Ru
SMILES	[Ru]123([n]4c(N5C=2N(C=C5)C(C)(C)C)cccc4N2C=3N(C=C2)C(C)(C)C)([n]2c(cccc2)c2[n]1cccc2)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
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	24.816 ± 0.005 Å
b	17.489 ± 0.003 Å
c	19.357 ± 0.004 Å
α	90°
β	110.388 ± 0.002°
γ	90°
Cell volume	7875 ± 3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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 significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.1826
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
180046 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/40.	7034042.cif
135018	2015-04-06	cif/ Updating files of 7034038, 7034039, 7034040, 7034041, 7034042 Original log message: Adding full bibliography for 7034038--7034042.cif.	7034042.cif
131817	2015-02-13	cif/ Adding structures of 7034038, 7034039, 7034040, 7034041, 7034042 via cif-deposit CGI script.	7034042.cif