Crystallography Open Database

Information card for entry 7113321

Preview

Coordinates	7113321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.5 H55 Cl F12 N8 O4.5 P2 Ru2 S2
Calculated formula	C60.5 H55 Cl F12 N8 O4.5 P2 Ru2 S2
Title of publication	In situ generation of sulfoxides with predetermined chirality via a structural template with a chiral-at-metal ruthenium complex
Authors of publication	Zheng-Zheng Li; Su-Yang Yao; Jin-Ji Wu; Bao-Hui Ye
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	5644
a	37.5718 ± 0.0009 Å
b	10.8548 ± 0.0002 Å
c	16.9834 ± 0.0004 Å
α	90°
β	113.393 ± 0.004°
γ	90°
Cell volume	6357.1 ± 0.3 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	9
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113321.cif
114047	2014-05-21	cif/ Adding structures of 7113321, 7113322, 7113323 via cif-deposit CGI script.	7113321.cif