Crystallography Open Database

Information card for entry 7715611

Preview

Coordinates	7715611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H31 Cl Co F12 N12 O2 Sb2
Calculated formula	C30.5 H31 Cl Co F12 N12 O2 Sb2
Title of publication	Spectroscopic and thermodynamic characterization of a cobalt-verdazyl valence tautomeric system. influence of crystal structure, solvent and counterion.
Authors of publication	Brook, David J. R.; DaRos, Jeffrey; Ponnekanti, Aamani; Agrestini, Stefano; Pellegrin, Eric
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	17
Pages of publication	7536 - 7545
a	9.0686 ± 0.0007 Å
b	29.208 ± 0.002 Å
c	16.0218 ± 0.0012 Å
α	90°
β	103.966 ± 0.002°
γ	90°
Cell volume	4118.3 ± 0.5 Å³
Cell temperature	301 K
Ambient diffraction temperature	301 K
Number of distinct elements	8
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	0.0878
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.1649
Weighted residual factors for all reflections included in the refinement	0.1701
Goodness-of-fit parameter for all reflections included in the refinement	1.178
Diffraction radiation probe	x-ray
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
291602 (current)	2024-05-05	cif/ Updating files of 7715611, 7715612, 7715613, 7715614 Original log message: Adding full bibliography for 7715611--7715614.cif.	7715611.cif
290761	2024-04-04	cif/ Adding structures of 7715611, 7715612, 7715613, 7715614 via cif-deposit CGI script.	7715611.cif