Crystallography Open Database

Information card for entry 7042363

Preview

Coordinates	7042363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H76 B Co F4 N14
Calculated formula	C76 H76 B Co F4 N14
Title of publication	Tuneable reversible redox of cobalt(iii) carbazole complexes.
Authors of publication	Bennington, Michael S.; Feltham, Humphrey L. C.; Buxton, Zoë J; White, Nicholas G.; Brooker, Sally
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	14
Pages of publication	4696 - 4710
a	16.32274 ± 0.00018 Å
b	16.32274 ± 0.00018 Å
c	13.22212 ± 0.00018 Å
α	90°
β	90°
γ	90°
Cell volume	3522.79 ± 0.07 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for all reflections	0.1809
Weighted residual factors for significantly intense reflections	0.1725
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	1.0276
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
196451 (current)	2017-05-06	cif/ Updating files of 7042363, 7042364, 7042365, 7042366 Original log message: Adding full bibliography for 7042363--7042366.cif.	7042363.cif
194079	2017-03-08	cif/ Adding structures of 7042363, 7042364, 7042365, 7042366 via cif-deposit CGI script.	7042363.cif