Crystallography Open Database

Information card for entry 2311299

Preview

Coordinates	2311299.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	<i>cis</i>,<i>fac</i>-{<i>N</i>,<i>N</i>-Bis[(pyridin-2-yl)methyl]methylamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichlorido(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)
Formula	C15 H21 Cl2 N3 O Ru S
Calculated formula	C15 H21 Cl2 N3 O Ru S
SMILES	[Ru]12(Cl)(Cl)([N](C)(Cc3[n]1cccc3)Cc1[n]2cccc1)[S](=O)(C)C
Title of publication	Crystal structure of cis,fac-{N,N-bis-[(pyridin-2-yl)meth-yl]methyl-amine-κ(3) N,N',N''}di-chlorido-(dimethyl sulfoxide-κS)ruthenium(II).
Authors of publication	Trotter, Kasey; Arulsamy, Navamoney; Hulley, Elliott
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2015
Journal volume	71
Journal issue	Pt 9
Pages of publication	m169 - 70
a	14.6117 ± 0.0003 Å
b	9.3345 ± 0.0002 Å
c	27.3451 ± 0.0007 Å
α	90°
β	102.734 ± 0.001°
γ	90°
Cell volume	3637.94 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
245771 (current)	2019-12-25	cif/ Adding structures of 2311299 via cif-deposit CGI script.	2311299.cif