Information card for entry 4310765

Structure parameters

• Chemical name: [MoO(3,6-DBCat)2]4
• Formula: C14 H20 Mo0.5 O2.5
• Calculated formula: C14 H20 Mo0.5 O2.5
• Title of publication: Coordination Complexes of Molybdenum with 3,6-Di-tert-butylcatechol. Addition Products of DMSO, Pyridine N-oxide, and Triphenylarsine Oxide to the Putative [MoVIO(3,6-DBCat)2] Monomer and Self-Assembly of the Chiral [{MoVIO(3,6-DBCat)2}4] Square
• Authors of publication: Cai-Ming Liu; Ebbe Nordlander; Derek Schmeh; Richard Shoemaker; Cortlandt G. Pierpont
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2114 - 2124
• a: 22.5679 ± 0.0015 Å
• b: 22.5679 ± 0.0015 Å
• c: 13.0099 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6626.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections: 0.2116
• Weighted residual factors for significantly intense reflections: 0.1878
• Goodness-of-fit parameter for all reflections: 1.261
• Goodness-of-fit parameter for significantly intense reflections: 1.373
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No