Information card for entry 7125526

Structure parameters

• Common name: MoO(DMSO)(3,6-DBCat)2
• Formula: C30 H46 Mo O6 S
• Calculated formula: C30 H46 Mo O6 S
• Title of publication: Oxo-deficient dioxylene complexes of Mo(vi) containing 3,6-di-tert-butylcatechol
• Authors of publication: Liu, Cai-Ming; Restorp, Per; Nordlander, Ebbe; Pierpont, Cortlandt G.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2686
• a: 12.2701 ± 0.0005 Å
• b: 16.7146 ± 0.0007 Å
• c: 18.4327 ± 0.0006 Å
• α: 92.217 ± 0.001°
• β: 90.072 ± 0.001°
• γ: 93.114 ± 0.001°
• Cell volume: 3771.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections: 0.219
• Weighted residual factors for significantly intense reflections: 0.1879
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No