Crystallography Open Database

Information card for entry 4319839

4319838 << 4319839 >> 4319840

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Coordinates	4319839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F2 Kr
Calculated formula	F2 Kr
SMILES	[Kr](F)F
Title of publication	X-ray Crystal Structures of α-KrF2, [KrF][MF6] (M = As, Sb, Bi), [Kr2F3][SbF6].KrF2, [Kr2F3]2[SbF6]2.KrF2, and [Kr2F3][AsF6].[KrF][AsF6]; Synthesis and Characterization of [Kr2F3][PF6].nKrF2; and Theoretical Studies of KrF2, KrF+, Kr2F3+, and the [KrF][MF6] (M = P, As, Sb, Bi) Ion Pairs
Authors of publication	John F. Lehmann; David A. Dixon; Gary J. Schrobilgen
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3002 - 3017
a	4.1744 ± 0.0006 Å
b	4.1744 ± 0.0006 Å
c	6.5047 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	113.35 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.0548
Goodness-of-fit parameter for all reflections included in the refinement	1.293
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
179278 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/98.	4319839.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319839.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319839.cif
16644	2011-03-25	../uploads/cif-deposit/cod/cif Adding structures of 4319839 via cif-deposit CGI script.	4319839.cif