Crystallography Open Database

Information card for entry 7042366

Preview

Coordinates	7042366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H91 B Co F4 N14 O1.5
Calculated formula	C82 H91 B Co F4 N14 O1.5
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	15.7973 ± 0.0003 Å
b	16.5287 ± 0.0004 Å
c	18.5432 ± 0.0004 Å
α	72.8513 ± 0.0019°
β	74.927 ± 0.0019°
γ	67.484 ± 0.002°
Cell volume	4214.08 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1361
Residual factor for significantly intense reflections	0.1173
Weighted residual factors for all reflections	0.3408
Weighted residual factors for significantly intense reflections	0.3113
Weighted residual factors for all reflections included in the refinement	0.3408
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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.	7042366.cif
194079	2017-03-08	cif/ Adding structures of 7042363, 7042364, 7042365, 7042366 via cif-deposit CGI script.	7042366.cif