Crystallography Open Database

Information card for entry 4119308

4119307 << 4119308 >> 4119309

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Structure parameters

Formula	C92 H118 F6 Mo4 N4 O18
Calculated formula	C92 H118 F6 Mo4 N4 O18
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	11.7619 ± 0.0011 Å
b	14.1426 ± 0.0013 Å
c	14.8459 ± 0.0013 Å
α	93.888 ± 0.003°
β	103.095 ± 0.003°
γ	93.82 ± 0.003°
Cell volume	2391.2 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1597
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1707
Weighted residual factors for all reflections included in the refinement	0.2113
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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