Crystallography Open Database

Information card for entry 4077362

Preview

Coordinates	4077362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H36 Al4 D10 N6
Calculated formula	C20 H46 Al4 N6
SMILES	C[N]1(C)Cc2ccc3C[N](C)([AlH2]([H][AlH2]1)n23)C
Title of publication	An Unusual Hydride-Bridged Aluminum Complex with a Square-Planar Tetraaluminum Core Stabilized by 2,5-Bis((Dimethylamino)methyl)pyrrole Ligands
Authors of publication	Chang, Jr-Chiuan; Hung, Chen-Hsiung; Huang, Jui-Hsien
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	22
Pages of publication	4445
a	10.356 ± 0.0006 Å
b	12.1443 ± 0.0008 Å
c	22.0752 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2776.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1119
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0459
Weighted residual factors for all reflections included in the refinement	0.0539
Goodness-of-fit parameter for all reflections included in the refinement	0.639
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
178662 (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 4/07/73.	4077362.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077362.cif
54312	2012-04-24	cif/ Adding structures of 4077362, 4077363 via cif-deposit CGI script.	4077362.cif