Crystallography Open Database

Information card for entry 4333278

Preview

Coordinates	4333278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H78 Al3 N5
Calculated formula	C56 H78 Al3 N5
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)C.Cc1ccccc1.[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)C.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	12.847 ± 0.003 Å
b	13.472 ± 0.003 Å
c	16.384 ± 0.003 Å
α	91.9 ± 0.03°
β	103.11 ± 0.03°
γ	96.52 ± 0.03°
Cell volume	2738.8 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0956
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
179435 (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 4/33/32.	4333278.cif
98899	2014-01-30	cif/ Adding structures of 4333278 via cif-deposit CGI script.	4333278.cif