Crystallography Open Database

Information card for entry 4111819

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Coordinates	4111819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.14 H67.65 Al N3
Calculated formula	C54.142 H67.648 Al N3
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	21.56 ± 0.004 Å
b	10.457 ± 0.002 Å
c	40.816 ± 0.008 Å
α	90°
β	97.26 ± 0.03°
γ	90°
Cell volume	9128 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	4111819.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111819.cif
63431	2012-08-01	cif/ Adding structures of 4111819 via cif-deposit CGI script.	4111819.cif