Crystallography Open Database

Information card for entry 1512716

Preview

Coordinates	1512716.cif

Structure parameters

Formula	C39.75 H43.5 Br4 Cl1.5 F3 N3 O6 Ru S
Calculated formula	C39.75 H42 Br4 Cl1.5 F3 N3 O6 Ru S
SMILES	[Ru]12([N](=Cc3c(O2)c(Br)cc(Br)c3)c2c(cccc2C(C)C)C(C)C)([N](=Cc2c(O1)c(Br)cc(Br)c2)c1c(cccc1C(C)C)C(C)C)(#N)[OH2].S(=O)(=O)([O-])C(F)(F)F.C(Cl)Cl
Title of publication	Ruthenium(VI) nitrido complexes with a sterically bulky bidentate Schiff base ligand
Authors of publication	Ho-Yuen Ng; Ngai-Man Lam; Min Yang; Xiao-Yi Yi; Ian D. Williams; Wa-Hung Leung
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	171 - 175
a	8.8334 ± 0.0013 Å
b	14.049 ± 0.002 Å
c	18.822 ± 0.003 Å
α	90°
β	100.719 ± 0.002°
γ	90°
Cell volume	2295.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0571
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1512716.cif
90783	2013-11-18	cif/ Adding structures of 1512716 via cif-deposit CGI script.	1512716.cif