Crystallography Open Database

Information card for entry 1556421

Preview

Coordinates	1556421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H47 Al N2
Calculated formula	C39 H47 Al N2
SMILES	[AlH2]1[N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C
Title of publication	Characterization and Photophysical Properties of a Luminescent Aluminum Hydride Complex Supported by a beta-Diketiminate Ligand
Authors of publication	Ito, S.; Tanaka, K.; Chujo, Y.
Journal of publication	Inorganics
Year of publication	2019
Journal volume	7
Pages of publication	100
a	16.0206 ± 0.0003 Å
b	24.7785 ± 0.0005 Å
c	16.9022 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6709.6 ± 0.2 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244893 (current)	2019-12-04	cif/ Adding structures of 1556421 via cif-deposit CGI script.	1556421.cif