Crystallography Open Database

Information card for entry 4317933

Preview

Coordinates	4317933.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Compound 5
Formula	C97 H80 Al6 N6
Calculated formula	C97 H80 Al6 N6
Title of publication	Reactions of AlH3.NMe3 with Nitriles: Structural Characterization and Substitution Reactions of Hexameric Aluminum Imides
Authors of publication	N. Dastagiri Reddy; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	2374 - 2378
a	25.842 ± 0.005 Å
b	15.443 ± 0.003 Å
c	20.699 ± 0.004 Å
α	90°
β	105.88 ± 0.03°
γ	90°
Cell volume	7945 ± 3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0978
Residual factor for significantly intense reflections	0.0896
Weighted residual factors for significantly intense reflections	0.1964
Weighted residual factors for all reflections included in the refinement	0.2019
Goodness-of-fit parameter for all reflections included in the refinement	1.213
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
179259 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/79.	4317933.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317933.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317933.cif
14216	2011-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4317933 via cif-deposit CGI script.	4317933.cif