Crystallography Open Database

Information card for entry 4334491

Preview

Coordinates	4334491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H51 Cl2 N3 O4 P2 Ru
Calculated formula	C34 H51 Cl2 N3 O4 P2 Ru
SMILES	C12CC3CC(C1)[NH2][Ru]1([NH2]2)([NH2]3)([P](CCCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl.O.O.[Cl-].O.O
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	8.8119 ± 0.0007 Å
b	10.6377 ± 0.0009 Å
c	20.0033 ± 0.0013 Å
α	75.11 ± 0.007°
β	88.833 ± 0.006°
γ	78.932 ± 0.007°
Cell volume	1777.6 ± 0.2 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1943
Weighted residual factors for all reflections included in the refinement	0.2037
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
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.	4334491.cif
100318	2014-02-04	cif/ Adding structures of 4334491 via cif-deposit CGI script.	4334491.cif