Crystallography Open Database

Information card for entry 1518338

Preview

Coordinates	1518338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 F18 N15 P3 Ru3 S9
Calculated formula	C36 H54 F18 N15 P3 Ru3 S9
Title of publication	Modulating the electron-transfer properties of a mixed-valence system through host‒guest chemistry
Authors of publication	Zubi, Ahmed; Wragg, Ashley; Turega, Simon; Adams, Harry; Costa, Paulo J.; Félix, Vítor; Thomas, Jim A.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	1334
a	27.5079 ± 0.0016 Å
b	16.0629 ± 0.0009 Å
c	14.4082 ± 0.001 Å
α	90°
β	108.033 ± 0.004°
γ	90°
Cell volume	6053.6 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.1629
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518338.cif
133103	2015-03-06	cif/ Updating files of 1518338 Original log message: Adding full bibliography for 1518338.cif.	1518338.cif
127950	2014-11-28	cif/ Adding structures of 1518338 via cif-deposit CGI script.	1518338.cif