Crystallography Open Database

Information card for entry 1519294

1519293 << 1519294 >> 1519295

Preview

Coordinates	1519294.cif

Structure parameters

Formula	C16 H36 O6 Si4
Calculated formula	C16 H36 O6 Si4
Title of publication	octakis(Isobutyl)octasilsesquioxane
Authors of publication	MacKinnon, I. A.; Liu, Z.; Taylor, P. G.; Yang, Y.; Hursthouse, Michael B.; Horton, Peter N.; Light, Mark E.; Bassindale, A. R.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	59
a	9.9881 ± 0.0013 Å
b	10.8183 ± 0.0014 Å
c	10.954 ± 0.0018 Å
α	96.541 ± 0.008°
β	91.269 ± 0.007°
γ	99.439 ± 0.007°
Cell volume	1159 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2189
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.1572
Weighted residual factors for all reflections included in the refinement	0.2024
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519294.cif
135644	2015-05-06	cif/ Adding structures of 1519294 via cif-deposit CGI script.	1519294.cif