Crystallography Open Database

Information card for entry 4308585

Preview

Coordinates	4308585.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Sodium-tetracyanoborate
Formula	C4 B N4 Na
Calculated formula	C4 B N4 Na
SMILES	[B](C#N)(C#N)(C#N)C#N.[Na+]
Title of publication	Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures
Authors of publication	Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1015 - 1022
a	11.68 ± 0.001 Å
b	11.68 ± 0.001 Å
c	11.68 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1593.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0639
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
179123 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/85.	4308585.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308585.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308585.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4308585.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308585.cif