Crystallography Open Database

Information card for entry 1551802

Preview

Coordinates	1551802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C157 H252 Al6 O41 S11
Calculated formula	C157 H247 Al6 O41 S11
SMILES	Oc1c(C2=[O][Al]345(Oc6c(C(O3)=[O][Al]378(Oc9c(C(O3)=[O][Al]3%10(OC(=[O]4)c4c(O3)c(cc(c4)C(C)(C)C)C(C)(C)C)[O]=C(O[Al]34(O%10)([O]=S(C)C)Oc%10c(C(=[O][Al]%11(O5)(O2)Oc2c(C(O%11)=[O][Al]5(O8)(OC(=[O]7)c7c(O)c(cc(c7)C(C)(C)C)C(C)(C)C)Oc7c(C(=[O]5)O4)cc(cc7C(C)(C)C)C(C)(C)C)cc(cc2C(C)(C)C)C(C)(C)C)O3)cc(cc%10C(C)(C)C)C(C)(C)C)c2c(O)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc9C(C)(C)C)C(C)(C)C)[O]=S(C)C)cc(cc6C(C)(C)C)C(C)(C)C)[O]=S(C)C)cc(cc1C(C)(C)C)C(C)(C)C.S(=O)(C)C.S(=O)(C)C.O=S(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.CS(=O)C
Title of publication	Crystal Structure of a Hexa-Nuclear Al-Complex with Ligands of 3,5-Di-t-butylsalicylate Ions
Authors of publication	KAMEI, Yuya; MIZUGUCHI, Jin
Journal of publication	X-ray Structure Analysis Online
Year of publication	2009
Journal volume	25
Pages of publication	81
a	19.3525 ± 0.0004 Å
b	35.446 ± 0.0004 Å
c	27.9608 ± 0.0007 Å
α	90°
β	110.124 ± 0.001°
γ	90°
Cell volume	18009.3 ± 0.6 Å³
Cell temperature	93.1 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.1589
Weighted residual factors for all reflections included in the refinement	0.437
Goodness-of-fit parameter for all reflections included in the refinement	1.498
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
216415 (current)	2019-06-20	cif/ Adding structures of 1551802 via cif-deposit CGI script.	1551802.cif