Crystallography Open Database

Information card for entry 4111009

Preview

Coordinates	4111009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 F6 N2 O6 Os P2 S2 Si2
Calculated formula	C60 H60 F6 N2 O6 Os P2 S2 Si2
SMILES	[Os]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(#CC(=C(C(=C1)[Si](C)(C)C)C)[Si](C)(C)C)[n]1c(cccc1)c1[n]2cccc1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
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	21.5222 ± 0.0011 Å
b	22.0572 ± 0.0011 Å
c	12.4107 ± 0.0006 Å
α	90°
β	98.151 ± 0.001°
γ	90°
Cell volume	5832.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	4111009.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111009.cif
60532	2012-06-15	cif/ Adding structures of 4111009 via cif-deposit CGI script.	4111009.cif