Crystallography Open Database

Information card for entry 4317573

Preview

Coordinates	4317573.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	compound 1
Formula	C47 H59 Al4 F27 O22 Si3
Calculated formula	C46.93 H58.92 Al4 F27 O22 Si3
Title of publication	Lightest Member of the Basic Carboxylate Structural Pattern: [Al3(μ3-O)(μ-O2CCF3)6(THF)3][(Me3Si)3CAl(O2CCF3)3].C7H8
Authors of publication	Hagen Hatop; Marilena Ferbinteanu; Herbert W. Roesky; Fanica Cimpoesu; Marcus Schiefer; Hans-Georg Schmidt; Mathias Noltemeyer
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1022 - 1025
a	18.313 ± 0.002 Å
b	18.313 ± 0.002 Å
c	18.313 ± 0.002 Å
α	53.472 ± 0.017°
β	53.472 ± 0.017°
γ	53.472 ± 0.017°
Cell volume	3679.3 ± 1.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :R
Hall space group symbol	-P 3*
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1918
Weighted residual factors for all reflections included in the refinement	0.2112
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179255 (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 4/31/75.	4317573.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317573.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317573.cif
13848	2011-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4317573 via cif-deposit CGI script.	4317573.cif