Crystallography Open Database

Information card for entry 7026553

Preview

Coordinates	7026553.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-Hydroxy-4,4,7,7-tetrakis(1',2',2',2'-tetramethyl-1'- trimethylsilyl-disilyl)-2-alumina-1,3-dioxa-4,7-disilacycloheptane
Chemical name	2-Hydroxy-4,4,7,7-tetrakis(1',2',2',2'-tetramethyl-1'-trimethylsilyl- disilyl)-2-alumina-1,3-dioxa-4,7-disilacycloheptane
Formula	C60 H176 Al2 O6 Si28
Calculated formula	C60 H176 Al2 O6 Si28
SMILES	C1C[Si](O[Al]2(O[Si]1([Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)[OH][Al]1([OH]2)O[Si](CC[Si](O1)([Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)([Si]([Si](C)(C)C)(C)[Si](C)(C)C)[Si]([Si](C)(C)C)(C)[Si](C)(C)C
Title of publication	A dimeric aluminium hydroxide supported by a new disiloxide ligand.
Authors of publication	Weichert, Katja; Carlson, Bryan; Reinke, Helmut; Krempner, Clemens
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	48
Pages of publication	11513 - 11515
a	12.5114 ± 0.0009 Å
b	18.1996 ± 0.001 Å
c	25.654 ± 0.0016 Å
α	90°
β	95.602 ± 0.002°
γ	90°
Cell volume	5813.6 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1141
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1814
Weighted residual factors for all reflections included in the refinement	0.21
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179971 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/65.	7026553.cif
93530	2014-01-13	cif/ Adding structures of 7026551, 7026552, 7026553 via cif-deposit CGI script.	7026553.cif