Crystallography Open Database

Information card for entry 4304390

Preview

Coordinates	4304390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H55 Al Cl N3
Calculated formula	C35 H55 Al Cl N3
SMILES	Cl[Al]1([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)N(C(C)C)C(C)C
Title of publication	Synthesis, Characterization, and Reaction of Aluminum Halide Amides Supported by a Bulky β-Diketiminato Ligand
Authors of publication	Ying Yang; Thomas Schulz; Michael John; Arne Ringe; Herbert W. Roesky; Dietmar Stalke; Jörg Magull; Hongqi Ye
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	2585 - 2592
a	10.0276 ± 0.0008 Å
b	20.3125 ± 0.0016 Å
c	16.7958 ± 0.0013 Å
α	90°
β	97.405 ± 0.001°
γ	90°
Cell volume	3392.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0379
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179081 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/43.	4304390.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304390.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304390.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304390.cif