Crystallography Open Database

Information card for entry 7133336

Preview

Coordinates	7133336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H152 B4 Cr4 N16 Na4 O31
Calculated formula	C104 H152 B4 Cr4 N16 Na4 O31
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	17.5473 ± 0.0002 Å
b	20.8549 ± 0.0002 Å
c	35.3881 ± 0.0003 Å
α	90°
β	102.2 ± 0.001°
γ	90°
Cell volume	12657.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.2065
Weighted residual factors for all reflections included in the refinement	0.2145
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	7133336.cif
293392	2024-07-13	cif/ Adding structures of 7133333, 7133334, 7133335, 7133336 via cif-deposit CGI script.	7133336.cif