Crystallography Open Database

Information card for entry 7115025

Preview

Coordinates	7115025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H115 Al4 N5 O12
Calculated formula	C94 H115 Al4 N5 O12
Title of publication	Novel organoaluminium (and gallium) carboxylate-bridged ring systems
Authors of publication	Redshaw, Carl; Elsegood, Mark R. J.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	19
Pages of publication	2016
a	17.8616 ± 0.0019 Å
b	27.115 ± 0.003 Å
c	19.081 ± 0.002 Å
α	90°
β	95.703 ± 0.002°
γ	90°
Cell volume	9195.5 ± 1.7 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 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	0.1756
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	0.958
Diffraction radiation wavelength	0.6878 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180264 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/50.	7115025.cif
118489	2014-06-30	cif/ Adding structures of 7115025, 7115026 via cif-deposit CGI script.	7115025.cif