Crystallography Open Database

Information card for entry 4078900

Preview

Coordinates	4078900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H72 Li8 O9
Calculated formula	C64 H72 Li8 O9
Title of publication	Self-Assembly of Charged Supramolecular Sandwiches Formed by Corannulene Tetraanions and Lithium Cations
Authors of publication	Zabula, Alexander V.; Spisak, Sarah N.; Filatov, Alexander S.; Petrukhina, Marina A.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	15
Pages of publication	5541
a	11.2041 ± 0.0011 Å
b	22.758 ± 0.002 Å
c	21.031 ± 0.002 Å
α	90°
β	92.144 ± 0.002°
γ	90°
Cell volume	5358.8 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0946
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4078900.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078900.cif
66435	2012-09-09	cif/ Adding structures of 4078900 via cif-deposit CGI script.	4078900.cif