Crystallography Open Database

Information card for entry 4119307

4119306 << 4119307 >> 4119308

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Coordinates	4119307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H96 Mo2 N2 O12 S4
Calculated formula	C60 H96 Mo2 N2 O12 S4
Title of publication	Mixed Valency in Hydrogen Bonded 'Dimers of Dimers'
Authors of publication	Luke A. Wilkinson; Laura McNeill; Anthony J. H. M. Meijer; Nathan J. Patmore
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	1723 - 1726
a	13.5032 ± 0.0004 Å
b	14.9415 ± 0.0005 Å
c	17.9245 ± 0.0006 Å
α	96.497 ± 0.002°
β	107.341 ± 0.002°
γ	103.535 ± 0.002°
Cell volume	3290.33 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1279
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1625
Weighted residual factors for all reflections included in the refinement	0.2072
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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