Crystallography Open Database

Information card for entry 1508835

Preview

Coordinates	1508835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H88 O12 Si8
Calculated formula	C40 H88 O12 Si8
Title of publication	X-ray Crystal Structures, Packing Behavior, and Thermal Stability Studies of a Homologous Series ofn-Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes
Authors of publication	El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Stephenson, Richard A.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William
Journal of publication	Macromolecules
Year of publication	2013
Journal volume	46
Journal issue	3
Pages of publication	988
a	26.4815 ± 0.0005 Å
b	26.4815 ± 0.0005 Å
c	15.6221 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	10955.3 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1519
Residual factor for significantly intense reflections	0.0898
Weighted residual factors for significantly intense reflections	0.1982
Weighted residual factors for all reflections included in the refinement	0.239
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1508835.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508835.cif
73991	2013-02-21	cif/ Adding structures of 1508832, 1508833, 1508834, 1508835, 1508836, 1508837, 1508838 via cif-deposit CGI script.	1508835.cif