Crystallography Open Database

Information card for entry 2227035

Preview

Structure parameters

Chemical name	Bis{μ-4,4',6,6'-tetra-<i>tert</i>-butyl-2,2'-[<i>N</i>-(2- oxidoethyl)iminodimethylene]diphenolato}dialuminium(III)
Formula	C64 H96 Al2 N2 O6
Calculated formula	C64 H96 Al2 N2 O6
SMILES	[N]123[Al]4([O](CC1)[Al]156[N](CC[O]41)(Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O6)Cc1c(O5)c(cc(c1)C(C)(C)C)C(C)(C)C)(Oc1c(C2)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(C3)cc(C(C)(C)C)cc1C(C)(C)C
Title of publication	Bis{μ-4,4',6,6'-tetra-<i>tert</i>-butyl-2,2'-[<i>N</i>-(2-oxidoethyl)iminodimethylene]diphenolato}dialuminium(III)
Authors of publication	Hemmingson, Stephanie L.; Stevens, Alice J.; Tanski, Joseph M.; Getzler, Yutan D. Y. L.
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	8
Pages of publication	m937
a	13.385 ± 0.002 Å
b	16.352 ± 0.003 Å
c	14.141 ± 0.002 Å
α	90°
β	90.063 ± 0.002°
γ	90°
Cell volume	3095.1 ± 0.9 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181191 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/70.	2227035.cif 2227035.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2227035.cif 2227035.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227035.cif 2227035.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2227035.cif 2227035.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227035.cif 2227035.hkl
1704	2010-11-03	hkl/2/ Adding Fobs files for the recently deposited IUCr data.	2227035.cif 2227035.hkl
1553	2010-10-08	cif/2/ Adding data from Acta-Cryst-E-2010_08/.	2227035.cif