Crystallography Open Database

Information card for entry 4334490

Preview

Coordinates	4334490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H48.75 Cl2 N3 O3 P2 Ru
Calculated formula	C34 H48.7456 Cl2 N3 O3 P2 Ru
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	9.70362 ± 0.00019 Å
b	20.1181 ± 0.0004 Å
c	17.9253 ± 0.0004 Å
α	90°
β	94.431 ± 0.002°
γ	90°
Cell volume	3488.89 ± 0.13 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.7107 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.	4334490.cif
100317	2014-02-04	cif/ Adding structures of 4334490 via cif-deposit CGI script.	4334490.cif