Crystallography Open Database

Information card for entry 4336989

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Coordinates	4336989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 F24 K2 O11 Zn
Calculated formula	C12 H14 F24 K2 O11 Zn
SMILES	[Zn]12(OC(C(F)(F)F)(C(F)(F)F)C(O1)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(O2)(C(F)(F)F)C(F)(F)F.[K+].[K+].O.O.O.O.O.O.O
Title of publication	Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes
Authors of publication	Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	14050 - 14063
a	11.888 ± 0.001 Å
b	11.7632 ± 0.0009 Å
c	39.823 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5568.9 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4336989.cif
103054	2014-02-25	cif/ Adding structures of 4336989 via cif-deposit CGI script.	4336989.cif