Crystallography Open Database

Information card for entry 4080175

Preview

Coordinates	4080175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H49 Al N2
Calculated formula	C32 H49 Al N2
SMILES	[Al]1(N(c2c(cccc2C(C)C)C(C)C)C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)=C)(CC)CC
Title of publication	Synthesis and Reactions of a Redox-Active α-Diimine Aluminum Complex
Authors of publication	Li, Jianfeng; Zhang, Kun; Huang, Hanmin; Yu, Ao; Hu, Hongfan; Cui, Haiyan; Cui, Chunming
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	6
Pages of publication	1630
a	9.1208 ± 0.0018 Å
b	9.921 ± 0.002 Å
c	18.795 ± 0.004 Å
α	86.61 ± 0.03°
β	83.07 ± 0.03°
γ	65.02 ± 0.03°
Cell volume	1530.3 ± 0.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1778
Weighted residual factors for all reflections included in the refinement	0.1943
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
178690 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/01.	4080175.cif
85866	2013-05-07	cif/ Adding structures of 4080174, 4080175, 4080176 via cif-deposit CGI script.	4080175.cif