Crystallography Open Database

Information card for entry 1556341

Preview

Coordinates	1556341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H30 Cl2 F6 N6 O3 P2 Ru
Calculated formula	C30.5 H30 Cl2 F6 N6 O3 P2 Ru
SMILES	c1cccc2c3cc(cc4[n]3[Ru]3([n]12)([n]1c4cccc1)([n]1ccccc1N=[N]3c1ccccc1)Cl)P(=O)(OCC)OCC.[P](F)(F)(F)(F)(F)[F-].ClCCl
Title of publication	Molecular ruthenium complexes anchored on magnetic nanoparticles that act as powerful and magnetically recyclable stereospecific epoxidation catalysts
Authors of publication	Vaquer, Lydia; Riente, Paola; Sala, Xavier; Jansat, Susanna; Benet-Buchholz, Jordi; Llobet, Antoni; Pericàs, Miquel A.
Journal of publication	Catal. Sci. Technol.
Year of publication	2013
Journal volume	3
Journal issue	3
Pages of publication	706
a	29.0844 ± 0.001 Å
b	15.042 ± 0.0005 Å
c	16.3344 ± 0.0006 Å
α	90°
β	108.315 ± 0.002°
γ	90°
Cell volume	6784.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0471
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
244218 (current)	2019-11-28	cif/ Adding structures of 1556341, 1556342 via cif-deposit CGI script.	1556341.cif