Crystallography Open Database

Information card for entry 4074625

Preview

Coordinates	4074625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Al2 N4
Calculated formula	C18 H22 Al2 N4
SMILES	c12ccccc1c[n]1n2[Al](C)(n2cc3c(cccc3)[n]2[Al]1(C)C)C
Title of publication	Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State
Authors of publication	Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	3
Pages of publication	588
a	15.82 ± 0.004 Å
b	7.2907 ± 0.0017 Å
c	8.5398 ± 0.0019 Å
α	90°
β	111.805 ± 0.004°
γ	90°
Cell volume	914.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1673
Weighted residual factors for all reflections included in the refinement	0.1698
Goodness-of-fit parameter for all reflections included in the refinement	1.238
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
178635 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/46.	4074625.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074625.cif
48615	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074625 via cif-deposit CGI script.	4074625.cif