Crystallography Open Database

Information card for entry 4331714

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Coordinates	4331714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F5 H2 N Te
Calculated formula	F5 H2 N Te
SMILES	[Te](F)(F)(F)(F)(F)[NH2]
Title of publication	Syntheses of [F5TeNH3][AsF6], [F5TeN(H)Xe][AsF6], and F5TeNF2and Characterization by Multi-NMR and Raman Spectroscopy and by Electronic Structure Calculations: The X-ray Crystal Structures of α- and β-F5TeNH2, [F5TeNH3][AsF6], and [F5TeN(H)Xe][AsF6]
Authors of publication	Fir, Barbara; Whalen, J. Marc; Mercier, Hélène P. A.; Dixon, David A.; Schrobilgen, Gary J.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	5
Pages of publication	1978 - 1996
a	5.163 ± 0.002 Å
b	9.083 ± 0.004 Å
c	5.262 ± 0.002 Å
α	90°
β	112.223 ± 0.008°
γ	90°
Cell volume	228.43 ± 0.16 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1147
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331714.cif
97824	2014-01-29	cif/ Adding structures of 4331711, 4331712, 4331713, 4331714 via cif-deposit CGI script.	4331714.cif