Crystallography Open Database

Information card for entry 4308586

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Coordinates	4308586.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Sodium-tetracyanoborate
Formula	C8 H8 B N4 Na O
Calculated formula	C8 H8 B N4 Na O
SMILES	[B](C#N)(C#N)(C#N)C#N.[Na+].C1CCCO1
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	13.908 ± 0.003 Å
b	9.288 ± 0.001 Å
c	8.738 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1128.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1584
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	4308586.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308586.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308586.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' ) &	4308586.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).	4308586.cif