Crystallography Open Database

Information card for entry 4341274

Preview

Coordinates	4341274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H30 F12 N11 P2 Ru
Calculated formula	C47 H39 F12 N11 P2 Ru
SMILES	[Ru]12([n]3cc4ccccc4c4cc5c6ccccc6cnc5nc34)([n]3c(cccc3)c3[n]1cccc3)([n]1c(cccc1)c1[n]2cccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC
Title of publication	Synthesis and dynamic behavior of an anthyridine-ligated ruthenium complex.
Authors of publication	Hirakawa, Shota; Koizumi, Take-Aki
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	20
Pages of publication	10788 - 10790
a	12.5071 ± 0.0014 Å
b	12.7442 ± 0.0017 Å
c	17.496 ± 0.002 Å
α	94.13 ± 0.008°
β	94.39 ± 0.008°
γ	93.802 ± 0.007°
Cell volume	2766.1 ± 0.6 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179515 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12.	4341274.cif
126923	2014-11-12	cif/ Updating files of 4341274, 4341275 Original log message: Adding full bibliography for 4341274--4341275.cif.	4341274.cif
125237	2014-10-10	cif/ Adding structures of 4341274 via cif-deposit CGI script.	4341274.cif