Crystallography Open Database

Information card for entry 4110652

Preview

Coordinates	4110652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H13 B Cl0.5 F20 O Zr
Calculated formula	C37 H13 B Cl0.502 F20 O Zr
Title of publication	Nonchelated d0 Zirconium-Alkoxide-Alkene Complexes
Authors of publication	Edward J. Stoebenau; Richard F. Jordan
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	8162 - 8175
a	9.9 ± 0.002 Å
b	12.25 ± 0.003 Å
c	14.111 ± 0.003 Å
α	89.956 ± 0.004°
β	85.384 ± 0.004°
γ	87.814 ± 0.004°
Cell volume	1704.5 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
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.	4110652.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110652.cif
59468	2012-06-12	cif/ Adding structures of 4110652 via cif-deposit CGI script.	4110652.cif