Information card for entry 7028185

Structure parameters

• Formula: C42 H103 Mo O46 S10 W3
• Calculated formula: C42 H42 Mo1.0074 O46 S10 W2.9926
• Title of publication: Preparation, structure and properties of three [MoxW4−xS4(H2O)12]5+ (x = 1‒3) and [MoW3Se4(H2O)12]5+ cuboidal complexes alongside [Mo4S4(H2O)12]5+ and [Mo4Se4(H2O)12]5+
• Authors of publication: McLean, Iain J.; Hernandez-Molina, Rita; Sokolov, Maxim N.; Seo, Mi-Sook; Virovets, Alexander V.; Elsegood, Mark R. J.; Clegg, William; Sykes, A. Geoffrey
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 15
• Pages of publication: 2557
• a: 13.831 ± 0.0007 Å
• b: 31.0531 ± 0.0017 Å
• c: 19.7278 ± 0.001 Å
• α: 90°
• β: 110.311 ± 0.002°
• γ: 90°
• Cell volume: 7946.2 ± 0.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No