Crystallography Open Database

Information card for entry 7009617

Preview

Coordinates	7009617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Cl2 F8 N2 Ni2 P2
Calculated formula	C22 H30 Cl2 F8 N2 Ni2 P2
SMILES	[Ni]12([Ni](Cl)([P](CC)(CC)CC)([n]3c2c(F)c(F)c(F)c3F)c2[n]1c(F)c(F)c(F)c2F)(Cl)[P](CC)(CC)CC
Title of publication	Chemistry of nickel tetrafluoropyridyl derivatives: their versatile behaviour with Brønsted acids and the Lewis acid BF3 †
Authors of publication	Archibald, Stephen J.; Braun, Thomas; Gaunt, Joseph A.; Hobson, James E.; Perutz, Robin N.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	13
Pages of publication	2013
a	13.519 ± 0.003 Å
b	14.205 ± 0.007 Å
c	15.858 ± 0.003 Å
α	90°
β	101.188 ± 0.017°
γ	90°
Cell volume	2987.5 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179800 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/96.	7009617.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009617.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009617.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009617.cif