Crystallography Open Database

Information card for entry 4320349

4320348 << 4320349 >> 4320350

Preview

Coordinates	4320349.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CaNa10Sn12
Formula	Ca Na10 Sn12
Calculated formula	Ca Na10 Sn12
SMILES	[Ca+2].[Sn]12[Sn]3[Sn]4[Sn]5[Sn]6[Sn]7[Sn]([Sn]1[Sn]2[Sn]56)[Sn]7[Sn]34.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Title of publication	Synthesis and Characterization of the Largest Isolated Clusters of Tin, [Sn12]12-, in (AE)Na10Sn12 (AE = Ca or Sr)
Authors of publication	Svilen Bobev; Slavi C. Sevov
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5361 - 5364
a	11.1847 ± 0.0006 Å
b	11.1847 ± 0.0006 Å
c	11.1847 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1399.18 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0136
Residual factor for significantly intense reflections	0.0131
Weighted residual factors for significantly intense reflections	0.0293
Weighted residual factors for all reflections included in the refinement	0.0295
Goodness-of-fit parameter for all reflections included in the refinement	1.247
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
179306 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/03.	4320349.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4320349.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320349.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320349.cif
17253	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320349 via cif-deposit CGI script.	4320349.cif