Information card for entry 7026657

Structure parameters

• Formula: C28 H34 Mo4 N8 O12.5
• Calculated formula: C28 H34 Mo4 N8 O12.5
• 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: 12.79 ± 0.003 Å
• b: 18.862 ± 0.005 Å
• c: 16.649 ± 0.004 Å
• α: 90°
• β: 94.793 ± 0.005°
• γ: 90°
• Cell volume: 4002.4 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No