Information card for entry 7010633

Structure parameters

• Formula: C28 H66 Mo3 O31 S4 Se4
• Calculated formula: C28 H28 Mo3 O31 S4 Se4
• 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: 13.886 ± 0.0019 Å
• b: 13.8899 ± 0.0019 Å
• c: 17.18 ± 0.002 Å
• α: 99.535 ± 0.002°
• β: 102.458 ± 0.002°
• γ: 117.597 ± 0.002°
• Cell volume: 2729.1 ± 0.6 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: 0.1438
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No