Crystallography Open Database

Information card for entry 7042364

Preview

Coordinates	7042364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H123 B Co F4 N14 O1.5
Calculated formula	C98 H123 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	16.6488 ± 0.0004 Å
b	20.3208 ± 0.0006 Å
c	28.7288 ± 0.0011 Å
α	90°
β	94.014 ± 0.003°
γ	90°
Cell volume	9695.6 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.087
Weighted residual factors for all reflections	0.2234
Weighted residual factors for significantly intense reflections	0.2103
Weighted residual factors for all reflections included in the refinement	0.2233
Goodness-of-fit parameter for all reflections included in the refinement	0.9664
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7042364.cif
194079	2017-03-08	cif/ Adding structures of 7042363, 7042364, 7042365, 7042366 via cif-deposit CGI script.	7042364.cif