Crystallography Open Database

Information card for entry 4119845

4119844 << 4119845 >> 4119846

Preview

Coordinates	4119845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H35 F10 N3 Ni
Calculated formula	C38 H35 F10 N3 Ni
Title of publication	A Five-Coordinate Nickel(II) Fluoroalkyl Complex as a Precursor to a Spectroscopically Detectable Ni(III) Species
Authors of publication	Cheng-Pan Zhang; Huan Wang; Axel Klein; Christian Biewer; Kathrin Stirnat; Yoshitaka Yamaguchi; Long Xu; Valente Gomez-Benitez; David A. Vicic
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	8141 - 8144
a	10.6079 ± 0.0003 Å
b	19.1642 ± 0.0005 Å
c	18.4101 ± 0.0005 Å
α	90°
β	101.288 ± 0.002°
γ	90°
Cell volume	3670.23 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0994
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1707
Weighted residual factors for all reflections included in the refinement	0.1907
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
178969 (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 4/11/98.	4119845.cif
104030	2014-03-10	cif/ Adding structures of 4119845 via cif-deposit CGI script.	4119845.cif