Crystallography Open Database

Information card for entry 4319841

4319840 << 4319841 >> 4319842

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Coordinates	4319841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F7 Kr Sb
Calculated formula	F7 Kr Sb
SMILES	[Sb]([F][Kr]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	5.2922 ± 0.0006 Å
b	10.4444 ± 0.0013 Å
c	10.7959 ± 0.0013 Å
α	90°
β	94.693 ± 0.004°
γ	90°
Cell volume	594.73 ± 0.12 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 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	0.0455
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.0527
Goodness-of-fit parameter for all reflections included in the refinement	0.92
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.	4319841.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319841.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319841.cif
16646	2011-03-25	../uploads/cif-deposit/cod/cif Adding structures of 4319841 via cif-deposit CGI script.	4319841.cif