Crystallography Open Database

Information card for entry 1529273

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Structure parameters

Formula	F7 H12 N3 Sn
Calculated formula	F7 H12 N3 Sn
SMILES	[Sn](F)(F)([F-])([F-])(F)F.[F-].[NH4+].[NH4+].[NH4+]
Title of publication	Structural transformation between two cubic phases of (NH4)3SnF7
Authors of publication	Flerov, Igor; Molokeev, Maxim; Laptash, Natalia; Udovenko, Anatoly; Pogoreltsev, Evgeniy; Melnikova, Svetlana; Misyul, Sergey
Journal of publication	Journal of Fluorine Chemistry
Year of publication	2015
Journal volume	179
Journal issue	0
Pages of publication	86
a	12.0866 ± 0.0001 Å
b	12.0866 ± 0.0001 Å
c	12.0866 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1765.68 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181862 (current)	2016-04-06	hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 1.	1529273.cif 1529273.hkl
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1529273.cif 1529273.hkl
152473	2015-07-23	cif/ hkl/ Adding structures of 1529273 via cif-deposit CGI script.	1529273.cif 1529273.hkl