Crystallography Open Database

Information card for entry 4345762

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Coordinates	4345762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	I12 W6
Calculated formula	I12 W6
Title of publication	A Reaction Cycle for Octahedral Tungsten Iodide Clusters.
Authors of publication	Ströbele, Markus; Meyer, Hans-Jürgen
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	10
Pages of publication	5880 - 5884
a	10.0514 ± 0.0008 Å
b	10.8396 ± 0.0008 Å
c	12.8043 ± 0.0011 Å
α	90°
β	111.397 ± 0.006°
γ	90°
Cell volume	1298.91 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
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	0.0562
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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