Crystallography Open Database

Information card for entry 4079880

Preview

Coordinates	4079880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 N3 O10.5 P5 Ru
Calculated formula	C54 H47.5 N3 O10.5 P5 Ru
Title of publication	Transformations of Alkynes at a Cyclotriphosphato Ruthenium Complex
Authors of publication	Kanao, Keiichiro; Ikeda, Yousuke; Kimura, Kazuhiro; Kamimura, Sou; Tanabe, Yoshiaki; Mutoh, Yuichiro; Iwasaki, Masakazu; Ishii, Youichi
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	2
Pages of publication	527
a	45.688 ± 0.008 Å
b	10.617 ± 0.002 Å
c	26.564 ± 0.005 Å
α	90°
β	123.517 ± 0.002°
γ	90°
Cell volume	10743 ± 3 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4079880.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079880.cif
74092	2013-02-21	cif/ Adding structures of 4079879, 4079880, 4079881, 4079882, 4079883, 4079884, 4079885, 4079886 via cif-deposit CGI script.	4079880.cif