Information card for entry 4311887

Structure parameters

• Common name: (DAniF)3(CH2DAniF)W2(mu-CO)2
• Formula: C63 H62 N8 O10 W2
• Calculated formula: C63 H62 N8 O10 W2
• SMILES: [W]12345([W]6([N](=CN1c1ccc(OC)cc1)c1ccc(OC)cc1)([N](=CN2c1ccc(OC)cc1)c1ccc(OC)cc1)([N](=CN(c1ccc(OC)cc1)C6)c1ccc(OC)cc1)(C4=O)C5=O)[N](=CN3c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Reaction Products of W(CO)6 with Formamidines; Electronic Structure of a W2(μ-CO)2 Core with Unsymmetric Bridging Carbonyls
• Authors of publication: F. Albert Cotton; James P. Donahue; Michael B. Hall; Carlos A. Murillo; Dino Villagrán
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6954 - 6964
• a: 12.6573 ± 0.0011 Å
• b: 13.2668 ± 0.0012 Å
• c: 17.925 ± 0.0015 Å
• α: 90°
• β: 105.802 ± 0.002°
• γ: 90°
• Cell volume: 2896.2 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No