Crystallography Open Database

Information card for entry 4334486

Preview

Coordinates	4334486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H33 F12 N5 O2 P2 Ru S
Calculated formula	C21 H33 F12 N5 O2 P2 Ru S
Title of publication	cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)
Authors of publication	Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4517 - 4527
a	9.947 ± 0.004 Å
b	10.678 ± 0.004 Å
c	16.409 ± 0.006 Å
α	93.116 ± 0.007°
β	107.14 ± 0.007°
γ	114.478 ± 0.007°
Cell volume	1484.2 ± 1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179447 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/44.	4334486.cif
100313	2014-02-04	cif/ Adding structures of 4334486 via cif-deposit CGI script.	4334486.cif