Crystallography Open Database

Information card for entry 4072902

Preview

Coordinates	4072902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H53 Al N2 O4 S2
Calculated formula	C40 H53 Al N2 O4 S2
SMILES	[Al]12(N(S(=[O]1)(=O)c1ccc(cc1)C)c1c(cccc1C(C)C)C(C)C)(N(S(=[O]2)(=O)c1ccc(cc1)C)c1c(cccc1C(C)C)C(C)C)CC
Title of publication	Synthesis and Reactions of Aluminum Sulfonamide Alkyls and Hydride
Authors of publication	Zhao, Jian; Song, Haibin; Cui, Chunming
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	8
Pages of publication	1947
a	11.1065 ± 0.0014 Å
b	16.532 ± 0.002 Å
c	22.444 ± 0.003 Å
α	89.462 ± 0.002°
β	78.601 ± 0.002°
γ	88.062 ± 0.002°
Cell volume	4037.4 ± 0.9 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1499
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
178618 (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 4/07/29.	4072902.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072902.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072902.cif
46063	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072902 via cif-deposit CGI script.	4072902.cif