Crystallography Open Database

Information card for entry 4319840

4319839 << 4319840 >> 4319841

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Coordinates	4319840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As F7 Kr
Calculated formula	As F7 Kr
SMILES	[Kr]([F][As](F)(F)(F)(F)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	5.1753 ± 0.0002 Å
b	10.2019 ± 0.0007 Å
c	10.5763 ± 0.0008 Å
α	90°
β	95.298 ± 0.002°
γ	90°
Cell volume	556.02 ± 0.06 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
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	0.0344
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0652
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	4319840.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319840.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319840.cif
16645	2011-03-25	../uploads/cif-deposit/cod/cif Adding structures of 4319840 via cif-deposit CGI script.	4319840.cif