Information card for entry 4317975

Structure parameters

• Chemical name: tetrakis(N-pyridylpropionamide-N,N')dimolybdenum(II,II), dichloromethane solvate
• Formula: C32.5 H37 Cl Mo2 N8 O4
• Calculated formula: C32.5 H37 Cl Mo2 N8 O4
• SMILES: [Mo]1234[Mo]([n]5ccccc5N1C(=O)CC)(N(c1[n]2cccc1)C(=O)CC)([n]1ccccc1N3C(=O)CC)N(c1[n]4cccc1)C(=O)CC.C(Cl)Cl
• Title of publication: The Lengths of Molybdenum to Molybdenum Quadruple Bonds: Correlations, Explanations, and Corrections
• Authors of publication: F. Albert Cotton; Lee M. Daniels; Elizabeth A. Hillard; Carlos A. Murillo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2466 - 2470
• a: 20.085 ± 0.002 Å
• b: 15.5627 ± 0.0013 Å
• c: 21.863 ± 0.002 Å
• α: 90°
• β: 96.844 ± 0.002°
• γ: 90°
• Cell volume: 6785.2 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.0735
• Goodness-of-fit parameter for all reflections: 1.007
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No