Crystallography Open Database

Information card for entry 7113323

Preview

Coordinates	7113323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 F6 N4 O3.5 P Ru S
Calculated formula	C30 H27 F6 N4 O3.5 P Ru S
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	9.4537 ± 0.0004 Å
b	9.4537 ± 0.0004 Å
c	68.322 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	6106.1 ± 1.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	8
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1079
Residual factor for significantly intense reflections	0.104
Weighted residual factors for significantly intense reflections	0.2233
Weighted residual factors for all reflections included in the refinement	0.2255
Goodness-of-fit parameter for all reflections included in the refinement	1.165
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7113323.cif
114047	2014-05-21	cif/ Adding structures of 7113321, 7113322, 7113323 via cif-deposit CGI script.	7113323.cif