Crystallography Open Database

Information card for entry 4119847

4119846 << 4119847 >> 4119848

Preview

Coordinates	4119847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H35 F9 N3 Ni O0.5 P
Calculated formula	C30 H35 F9 N3 Ni O0.5 P
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	12.69 ± 0.0012 Å
b	15.1528 ± 0.0012 Å
c	33.412 ± 0.002 Å
α	90°
β	93.893 ± 0.002°
γ	90°
Cell volume	6409.9 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1796
Residual factor for significantly intense reflections	0.1136
Weighted residual factors for significantly intense reflections	0.3057
Weighted residual factors for all reflections included in the refinement	0.3392
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	4119847.cif
104032	2014-03-10	cif/ Adding structures of 4119847 via cif-deposit CGI script.	4119847.cif