Crystallography Open Database

Information card for entry 4068548

Preview

Coordinates	4068548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H152 O6 Si26 Zr
Calculated formula	C50 H152 O6 Si26 Zr
Title of publication	Synthesis and Structures of Titanium and Zirconium Trisiloxides
Authors of publication	Krempner, Clemens; Jäger-Fiedler, Ulrike; Köckerling, Martin; Reinke, Helmut
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	1
Pages of publication	382
a	14.6636 ± 0.0007 Å
b	26.479 ± 0.002 Å
c	14.9466 ± 0.0007 Å
α	90°
β	115.082 ± 0.002°
γ	90°
Cell volume	5256.2 ± 0.5 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1056
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1796
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4068548.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068548.cif
39862	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068548 via cif-deposit CGI script.	4068548.cif