Crystallography Open Database

Information card for entry 4133874

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Coordinates	4133874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46.9 Co2 F12 N8 O6 P2
Calculated formula	C30 H46.9 Co2 F12 N8 O6 P2
Title of publication	A Unified Electro- and Photocatalytic CO<sub>2</sub> to CO Reduction Mechanism with Aminopyridine Cobalt Complexes.
Authors of publication	Fernández, Sergio; Franco, Federico; Casadevall, Carla; Martin-Diaconescu, Vlad; Luis, Josep M.; Lloret-Fillol, Julio
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
a	8.0791 ± 0.0003 Å
b	9.2458 ± 0.0004 Å
c	12.7757 ± 0.0005 Å
α	90°
β	92.4726 ± 0.0014°
γ	90°
Cell volume	953.43 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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