Crystallography Open Database

Information card for entry 7712564

Preview

Coordinates	7712564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H36 Cl2 Co N4 O7
Calculated formula	C39 H36 Cl2 Co N4 O7
SMILES	[Co]123([O]=C(C(=C(O1)c1ccccc1)Cl)c1ccccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].O(CC)CC
Title of publication	Light-induced O<sub>2</sub>-dependent aliphatic carbon-carbon (C-C) bond cleavage in bipyridine-ligated Co(II) chlorodiketonate complexes.
Authors of publication	Anderson, Stephen N.; Elsberg, Josiah G. D.; Berreau, Lisa M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	11.3963 ± 0.0006 Å
b	12.6001 ± 0.0007 Å
c	14.2773 ± 0.0007 Å
α	73.724 ± 0.002°
β	86.205 ± 0.002°
γ	69.356 ± 0.002°
Cell volume	1840.4 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281785 (current)	2023-03-10	cif/ Adding structures of 7712564, 7712565, 7712566, 7712567 via cif-deposit CGI script.	7712564.cif