Crystallography Open Database

Information card for entry 2311110

Preview

Coordinates	2311110.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>trans</i>-Chloridobis(4-methylpyridine-κ<i>N</i>)(4,4',4''-tri-<i>tert</i>- butyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) hexafluoridophosphate acetone monosolvate
Formula	C42 H55 Cl F6 N5 O P Ru
Calculated formula	C42 H55 Cl F6 N5 O P Ru
Title of publication	trans-Chloridobis(4-methyl-pyridine-κN)(4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine-κN,N',N'')ruthenium(II) hexa-fluoridophosphate acetone monosolvate.
Authors of publication	Redford, Christopher; Gimbert-Suriñach, Carolina; Bhadbhade, Mohan; Colbran, Stephen B.
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2012
Journal volume	68
Journal issue	Pt 3
Pages of publication	m300
a	16.4041 ± 0.0009 Å
b	12.7834 ± 0.0006 Å
c	21.9468 ± 0.0011 Å
α	90°
β	107.865 ± 0.003°
γ	90°
Cell volume	4380.3 ± 0.4 Å³
Cell temperature	156 ± 2 K
Ambient diffraction temperature	156 ± 2 K
Number of distinct elements	8
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	0.1446
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1711
Goodness-of-fit parameter for all reflections included in the refinement	0.85
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
245582 (current)	2019-12-25	cif/ Adding structures of 2311110 via cif-deposit CGI script.	2311110.cif