Crystallography Open Database

Information card for entry 4314881

Preview

Coordinates	4314881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.17 H36.75 F12 N9.58 P2 Ru S6
Calculated formula	C45.1667 H36.75 F12 N9.58333 P2 Ru S6
Title of publication	TTF-Annulated Phenanthroline and Unexpected Oxidative Cleavage of the C=C Bond in Its Ruthenium(II) Complex
Authors of publication	Lawrence K. Keniley; Lipika Ray; Kirill Kovnir; Logan A. Dellinger; Jordan M. Hoyt; Michael Shatruk
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1307 - 1309
a	22.57 ± 0.02 Å
b	22.54 ± 0.02 Å
c	32.53 ± 0.03 Å
α	90°
β	92.074 ± 0.014°
γ	90°
Cell volume	16538 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.167
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.1768
Weighted residual factors for all reflections included in the refinement	0.2246
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179228 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/48.	4314881.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314881.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314881.cif
8024	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314881 via cif-deposit CGI script.	4314881.cif