Crystallography Open Database

Information card for entry 7714946

Preview

Coordinates	7714946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.8 H57.6 Cl3.6 Co2 F12 N10 O6 P2
Calculated formula	C56 H54 Co2 F12 N10 O6 P2
Title of publication	Tuning valence tautomerism in a family of dinuclear cobalt complexes incorporating a conjugated bridging bis(dioxolene) ligand with weak communication.
Authors of publication	Fischer, Tristan E.; Janetzki, Jett T.; M Zahir, F Zahra; Gable, Robert W.; Starikova, Alyona A.; Boskovic, Colette
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	7
Pages of publication	3104 - 3117
a	10.813 ± 0.002 Å
b	13.371 ± 0.003 Å
c	22.478 ± 0.005 Å
α	90°
β	103.68 ± 0.03°
γ	90°
Cell volume	3157.7 ± 1.2 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1418
Residual factor for significantly intense reflections	0.0893
Weighted residual factors for significantly intense reflections	0.2356
Weighted residual factors for all reflections included in the refinement	0.2776
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290197 (current)	2024-03-04	cif/ Updating files of 7714944, 7714945, 7714946 Original log message: Adding full bibliography for 7714944--7714946.cif.	7714946.cif
288957	2024-01-09	cif/ Adding structures of 7714944, 7714945, 7714946 via cif-deposit CGI script.	7714946.cif