Crystallography Open Database

Information card for entry 4111013

Preview

Coordinates	4111013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 Cl2 F3 N2 O3 Os P S Si2
Calculated formula	C42 H48 Cl2 F3 N2 O3 Os P S Si2
SMILES	[Os]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([n]6c(cccc6)c6[n]1cccc6)[cH]1[c]2([c]3([c]4([cH]51)[Si](C)(C)C)C)[Si](C)(C)C.C(S(=O)(=O)[O-])(F)(F)F.C(Cl)Cl
Title of publication	Osmabenzenes from the Reactions of a Dicationic Osmabenzyne Complex
Authors of publication	Wai Yiu Hung; Jun Zhu; Ting Bin Wen; Ka Po Yu; Herman H. Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	13742 - 13752
a	10.7215 ± 0.0011 Å
b	11.4672 ± 0.0011 Å
c	20.273 ± 0.002 Å
α	104.072 ± 0.002°
β	101.455 ± 0.002°
γ	95.036 ± 0.002°
Cell volume	2345.1 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
178881 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/10.	4111013.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111013.cif
60536	2012-06-15	cif/ Adding structures of 4111013 via cif-deposit CGI script.	4111013.cif