Information card for entry 7010634

Structure parameters

• Formula: C28 H69 O32.5 S4 Se4 W3
• Calculated formula: C28 H28 O32.5 S4 Se4 W3
• Title of publication: Formation of Group 14 and 15 heteroatom derivatives of trinuclear [M3Se4(H2O)9]4+ (M = Mo, W) and the decreased reactivity of [W3S4(H2O)9]4+
• Authors of publication: Hernandez-Molina, Rita; Elsegood, Mark R. J.; Clegg, William; Sykes, A. G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 2173
• a: 11.9215 ± 0.0007 Å
• b: 15.4869 ± 0.0007 Å
• c: 16.9541 ± 0.0008 Å
• α: 101.655 ± 0.002°
• β: 96.056 ± 0.002°
• γ: 109.195 ± 0.002°
• Cell volume: 2844.8 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0741
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No