Crystallography Open Database

Information card for entry 4326318

Preview

Coordinates	4326318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H51 Cl13 N11 O2 Ru2
Calculated formula	C71 H51 Cl13 N11 O2 Ru2
SMILES	[Ru]1234[Ru](Cl)([N](=C(N1C)c1ccc(cc1)c1nnn(c1)Cc1cc(OCc5ccccc5)cc(OCc5ccccc5)c1)C)(N(C=[N]2c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)(N(C=[N]3c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)N(C=[N]4c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1
Title of publication	Decorating Diruthenium Compounds with Fréchet Dendrons via the Click Reaction
Authors of publication	William P. Forrest; Zhi Cao; Wei-Zhong Chen; Kerry M. Hassell; Anastasia Kharlamova; Greta Jakstonyte; Tong Ren
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9345 - 9353
a	29.1361 ± 0.0013 Å
b	29.1361 ± 0.0013 Å
c	55.364 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	40702 ± 3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179366 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/63.	4326318.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326318.cif
48482	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326318 via cif-deposit CGI script.	4326318.cif