Crystallography Open Database

Information card for entry 4127518

Preview

Coordinates	4127518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H46 Cl2 Co4 N8 O20
Calculated formula	C48 H46 Cl2 Co4 N8 O20
Title of publication	Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.
Authors of publication	Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	22
Pages of publication	8846 - 8857
a	22.3692 ± 0.0006 Å
b	12.07776 ± 0.00019 Å
c	21.0774 ± 0.0005 Å
α	90°
β	115.686 ± 0.003°
γ	90°
Cell volume	5131.8 ± 0.2 Å³
Cell temperature	160 ± 0.1 K
Ambient diffraction temperature	160 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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