Crystallography Open Database

Information card for entry 4303416

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Coordinates	4303416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H156 Co Cr7 F8 N2 Na O33 S
Calculated formula	C86 H156 Co Cr7 F8 N2 Na O33 S
Title of publication	Proton NMR Study of Cr-Co Heterometallic Wheel Complexes
Authors of publication	E. Carolina Sañudo; Thomas B. Faust; Christopher A. Muryn; Robin G. Pritchard; Grigore A. Timco; Richard E. P. Winpenny
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	9811 - 9818
a	19.6702 ± 0.0003 Å
b	25.7942 ± 0.0004 Å
c	26.3871 ± 0.0004 Å
α	90°
β	92.4145 ± 0.0005°
γ	90°
Cell volume	13376.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
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	0.1526
Residual factor for significantly intense reflections	0.0926
Weighted residual factors for significantly intense reflections	0.2108
Weighted residual factors for all reflections included in the refinement	0.2302
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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

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