Crystallography Open Database

Information card for entry 4339707

Preview

Coordinates	4339707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H83 Al3 N6
Calculated formula	C58 H83 Al3 N6
SMILES	[Al]1(N([Al@@](N([Al@](N1c1c(cccc1C(C)C)C(C)C)([n]1ccc(cc1)N(C)C)C)c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C)c1c(cccc1C(C)C)C(C)C)C.c1cc(ccc1)C.[Al]1(N([Al@](N([Al@@](N1c1c(cccc1C(C)C)C(C)C)([n]1ccc(cc1)N(C)C)C)c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C)c1c(cccc1C(C)C)C(C)C)C.c1cc(ccc1)C
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	12.768 ± 0.003 Å
b	13.144 ± 0.003 Å
c	18.283 ± 0.004 Å
α	97.29 ± 0.03°
β	109.16 ± 0.03°
γ	91.13 ± 0.03°
Cell volume	2868.7 ± 1.3 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	0.2292
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	0.85
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.	4339707.cif
117492	2014-06-15	cif/ Adding structures of 4339707 via cif-deposit CGI script.	4339707.cif