Crystallography Open Database

Information card for entry 7133333

Preview

Coordinates	7133333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 B Cr2 N4 Na O13
Calculated formula	C26 H24 B Cr2 N4 Na O13
Title of publication	The tetracyanoborate anion as a building block for the heterocubane cluster cage [Cr<sub>4</sub>{B(CN)<sub>4</sub>}<sub>4</sub>]<sup>4</sup>.
Authors of publication	Luff, Martin S.; Bertermann, Rüdiger; Finze, Maik; Radius, Udo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	65
Pages of publication	8621 - 8624
a	23.3656 ± 0.0002 Å
b	9.1918 ± 0.0001 Å
c	31.7925 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6828.14 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294452 (current)	2024-09-06	cif/ Updating files of 7133333, 7133334, 7133335, 7133336 Original log message: Adding full bibliography for 7133333--7133336.cif.	7133333.cif
293392	2024-07-13	cif/ Adding structures of 7133333, 7133334, 7133335, 7133336 via cif-deposit CGI script.	7133333.cif