Crystallography Open Database

Information card for entry 7024168

Preview

Coordinates	7024168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H27 F3 N2 O Zn
Calculated formula	C16 H27 F3 N2 O Zn
Title of publication	New insights into addition reactions of dialkylzinc reagents to trifluoromethyl ketones: structural authentication of a beta-hydride elimination product containing a tetranuclear zinc chain.
Authors of publication	Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Livingstone, Zoe; McCall, Matthew D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	2
Pages of publication	520 - 526
a	8.2967 ± 0.0004 Å
b	12.6431 ± 0.0004 Å
c	9.5096 ± 0.0004 Å
α	90°
β	109.426 ± 0.005°
γ	90°
Cell volume	940.73 ± 0.07 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179946 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/41.	7024168.cif
92218	2014-01-12	cif/ Adding structures of 7024168, 7024169 via cif-deposit CGI script.	7024168.cif