Crystallography Open Database

Information card for entry 7133335

Preview

Coordinates	7133335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C308 H280 B8 Cr8 N32 O39 P8
Calculated formula	C308 H280 B8 Cr8 N32 O39 P8
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	16.6054 ± 0.0001 Å
b	18.2464 ± 0.0002 Å
c	27.5141 ± 0.0002 Å
α	93.222 ± 0.001°
β	99.544 ± 0.001°
γ	113.692 ± 0.001°
Cell volume	7458.23 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0897
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.2032
Weighted residual factors for all reflections included in the refinement	0.2164
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	7133335.cif
293392	2024-07-13	cif/ Adding structures of 7133333, 7133334, 7133335, 7133336 via cif-deposit CGI script.	7133335.cif