Crystallography Open Database

Information card for entry 4111818

Preview

Coordinates	4111818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H82 Al2 N4 O2
Calculated formula	C58 H82 Al2 N4 O2
Title of publication	The Selective Preparation of an Aluminum Oxide and Its Isomeric C-H-Activated Hydroxide
Authors of publication	Hongping Zhu; Jianfang Chai; Vojtech Jancik; Herbert W. Roesky; William A. Merrill; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	10170 - 10171
a	13.652 ± 0.003 Å
b	13.717 ± 0.003 Å
c	14.166 ± 0.003 Å
α	90°
β	106.89 ± 0.03°
γ	90°
Cell volume	2538.4 ± 1 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
178889 (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 4/11/18.	4111818.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111818.cif
63430	2012-08-01	cif/ Adding structures of 4111818 via cif-deposit CGI script.	4111818.cif