Crystallography Open Database

Information card for entry 7034048

Preview

Coordinates	7034048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H47 Al N2
Calculated formula	C30 H47 Al N2
SMILES	[Al](C)(C)(C)=C1N(CCN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
Title of publication	Synthesis, structural studies and ligand influence on the stability of aryl-NHC stabilised trimethylaluminium complexes.
Authors of publication	Wu M, Melissa; Gill, Arran M.; Yunpeng, Lu; Falivene, Laura; Yongxin, Li; Ganguly, Rakesh; Cavallo, Luigi; García, Felipe
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	34
Pages of publication	15166 - 15174
a	17.8289 ± 0.0013 Å
b	10.1831 ± 0.0007 Å
c	16.5889 ± 0.001 Å
α	90°
β	107.807 ± 0.002°
γ	90°
Cell volume	2867.5 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1204
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.151
Weighted residual factors for all reflections included in the refinement	0.1937
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180046 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/40.	7034048.cif
161663	2015-10-09	cif/ Updating files of 7034045, 7034046, 7034047, 7034048, 7034049 Original log message: Adding full bibliography for 7034045--7034049.cif.	7034048.cif
131861	2015-02-14	cif/ Adding structures of 7034045, 7034046, 7034047, 7034048, 7034049 via cif-deposit CGI script.	7034048.cif