Crystallography Open Database

Information card for entry 4114802

Preview

Coordinates	4114802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 B Cl F10 Ta
Calculated formula	C34 H24 B Cl F10 Ta
Title of publication	Synthesis and Chemistry of Zwitterionic Tantala-3-boratacyclopentenes: Olefin-like Reactivity of a Borataalkene Ligand
Authors of publication	Kevin S. Cook; Warren E. Piers; Robert McDonald
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	5411 - 5418
a	14.9651 ± 0.0007 Å
b	12.6093 ± 0.0006 Å
c	16.1443 ± 0.0008 Å
α	90°
β	103.1 ± 0.001°
γ	90°
Cell volume	2967.1 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
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	0.0265
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0623
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
178919 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/48.	4114802.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114802.cif
68166	2012-10-19	cif/ Adding structures of 4114802 via cif-deposit CGI script.	4114802.cif