Crystallography Open Database

Information card for entry 4331623

Preview

Coordinates	4331623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H35 O8 Si5 Ta
Calculated formula	C12 H35 O8 Si5 Ta
Title of publication	Synthesis, Structural and Spectroscopic Characterization, Catalytic Properties, and Thermal Transformations of New Cyclic Di- and Trisiloxanediolato Tantalum Complexes
Authors of publication	Kapoor, Ramesh N.; Cervantes-Lee, Francisco; Campana, Charles F.; Haltiwanger, Curtis; Abney, Kent; Pannell, Keith H.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	5
Pages of publication	2203 - 2208
a	12.6917 ± 0.0004 Å
b	17.1502 ± 0.0005 Å
c	23.9634 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5216 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.355
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
179419 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/16.	4331623.cif
97751	2014-01-29	cif/ Adding structures of 4331623 via cif-deposit CGI script.	4331623.cif