Crystallography Open Database

Information card for entry 4107217

Preview

Coordinates	4107217.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Disilanol FPOSS
Chemical name	octakis(heptadecafluorodecyl)polyhedral oligomeric silsesquioxane diol
Formula	C80 H34 F136 O13 Si8
Calculated formula	C80 H34 F136 O13 Si8
Title of publication	Incompletely Condensed Fluoroalkyl Silsesquioxanes and Derivatives: Precursors for Low Surface Energy Materials
Authors of publication	Sean M. Ramirez; Yvonne J. Diaz; Raymond Campos; Rebecca L. Stone; Timothy S. Haddad; Joseph M. Mabry
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	20084 - 20087
a	11.833 ± 0.002 Å
b	57.141 ± 0.011 Å
c	19.069 ± 0.004 Å
α	90°
β	92.2 ± 0.03°
γ	90°
Cell volume	12884 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0915
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.1893
Weighted residual factors for all reflections included in the refinement	0.1918
Goodness-of-fit parameter for all reflections included in the refinement	1.23
Diffraction radiation probe	x-ray
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
178818 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/72.	4107217.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107217.cif
54869	2012-04-30	cif/ Adding structures of 4107217 via cif-deposit CGI script.	4107217.cif