Information card for entry 4315078

Structure parameters

• Common name: (N(C2H5)4)[MoO(Cl4C6O2)2(C4H8O)](C4H8O)
• Formula: C28 H36 Cl8 Mo N O7
• Calculated formula: C24 H8 Cl8 Mo N O6
• Title of publication: Synthesis and Reactivity of Catecholate Complexes Containing Quadruply Bonded Metal Ions
• Authors of publication: Jason Christ; Corinne Epps; Victoria Pritchard; Derek Schmeh; Cortlandt Pierpont; Ebbe Nordlander
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2029 - 2031
• a: 9.2408 ± 0.0007 Å
• b: 19.726 ± 0.0015 Å
• c: 19.3697 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3530.8 ± 0.5 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.2185
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No