Information card for entry 7026656

Structure parameters

• Formula: C17 H24 Mo N4 O4
• Calculated formula: C17 H24 Mo N4 O4
• SMILES: [Mo]12([n]3[nH]c(cc3C)C)([n]3[nH]c(cc3C)C)(C#[O])(C#[O])([CH2]=[CH]1C2)OC(=O)C
• Title of publication: Tetranuclear organometallic complexes containing Mo2O4(2+) and allylmolybdenum(II) moieties.
• Authors of publication: Paredes, Paloma; López-Calzada, Angel; Miguel, Daniel; Villafañe, Fernando
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10099 - 10104
• a: 8.6642 ± 0.0006 Å
• b: 19.3916 ± 0.0013 Å
• c: 24.0284 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4037.1 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No