Crystallography Open Database

Information card for entry 4310556

Preview

Coordinates	4310556.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(iPr-L-Xan)Al2Me4 (4)
Formula	C33 H52 Al2 N4 O
Calculated formula	C33 H52 Al2 N4 O
SMILES	[Al]1([N](C(C)C)=C(N1C(C)C)c1cccc2c1Oc1c(C2(C)C)cccc1C1=[N]([Al](N1C(C)C)(C)C)C(C)C)(C)C
Title of publication	Synthesis and Characterization of Binucleating Bis(amidinate) Ligands and Their Dialuminum Complexes
Authors of publication	Bronya Clare; Niladri Sarker; Richard Shoemaker; John R. Hagadorn
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	1159 - 1166
a	21.1468 ± 0.0013 Å
b	11.5004 ± 0.0007 Å
c	29.858 ± 0.0017 Å
α	90°
β	97.293 ± 0.001°
γ	90°
Cell volume	7202.6 ± 0.7 Å³
Cell temperature	136 ± 2 K
Ambient diffraction temperature	136 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179144 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/05.	4310556.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310556.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310556.cif
2044	2010-11-08	../uploads/cif-deposit/cod/cif Adding structures of 4310556 via cif-deposit CGI script.	4310556.cif