Crystallography Open Database

Information card for entry 4334238

Preview

Coordinates	4334238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H25 Cl2 N7 O8 Ru
Calculated formula	C34 H25 Cl2 N7 O8 Ru
SMILES	[Ru]1234([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)C#C)c1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC
Title of publication	Modular Synthesis of Alkyne-Substituted Ruthenium Polypyridyl Complexes Suitable for "Click" Coupling
Authors of publication	James B. Gerken; Matthew L. Rigsby; Rose E. Ruther; Riviam J. Pérez-Rodríguez; Ilia A. Guzei; Robert J. Hamers; Shannon S. Stahl
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2796 - 2798
a	29.0382 ± 0.0016 Å
b	9.5447 ± 0.0005 Å
c	24.53 ± 0.0015 Å
α	90°
β	102.191 ± 0.003°
γ	90°
Cell volume	6645.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0477
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4334238.cif
100053	2014-02-04	cif/ Adding structures of 4334238 via cif-deposit CGI script.	4334238.cif