Crystallography Open Database

Information card for entry 4326420

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Structure parameters

Formula	C38 H40 Al Li N4 O2
Calculated formula	C38 H40 Al Li N4 O2
Title of publication	Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds
Authors of publication	Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9210 - 9212
a	11.7382 ± 0.0007 Å
b	20.1542 ± 0.0013 Å
c	28.6343 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	6774.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1143
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4326420.cif
179367	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/64.	4326420.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326420.cif
48591	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326420 via cif-deposit CGI script.	4326420.cif