Crystallography Open Database

Information card for entry 7709345

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Coordinates	7709345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C424.2 H399.3 B8 Co8 N32 O28
Calculated formula	C424.2 H399.3 B8 Co8 N32 O28
Title of publication	Selective oxygenation of C–H and CC bonds with H2O2 by high-spin cobalt(ii)-carboxylate complexes
Authors of publication	Ghosh, Ivy; Chakraborty, Biswarup; Bera, Abhijit; Paul, Satadal; Paine, Tapan Kanti
Journal of publication	Dalton Transactions
Year of publication	2022
a	18.507 ± 0.005 Å
b	20.425 ± 0.005 Å
c	25.548 ± 0.007 Å
α	102.515 ± 0.007°
β	95.986 ± 0.007°
γ	106.785 ± 0.007°
Cell volume	8881 ± 4 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.2723
Residual factor for significantly intense reflections	0.1287
Weighted residual factors for significantly intense reflections	0.3226
Weighted residual factors for all reflections included in the refinement	0.4134
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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