Crystallography Open Database

Information card for entry 4339708

Preview

Coordinates	4339708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H91 Al3 N6
Calculated formula	C68 H91 Al3 N6
SMILES	[Al]1(N([Al](N([Al](N1c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C)c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C)c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C.Cc1ccccc1.Cc1ccccc1
Title of publication	Alumazene adducts with pyridines: synthesis, structure, and stability studies.
Authors of publication	Löbl, Jiri; Timoshkin, Alexey Y.; Cong, Trinh; Necas, Marek; Roesky, Herbert W.; Pinkas, Jiri
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	14
Pages of publication	5678 - 5685
a	12.6189 ± 0.0002 Å
b	20.3632 ± 0.0003 Å
c	24.1086 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6194.97 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339708.cif
117493	2014-06-15	cif/ Adding structures of 4339708 via cif-deposit CGI script.	4339708.cif