Information card for entry 4311889

Structure parameters

• Common name: W2(DAniF)4
• Formula: C60 H60 N8 O8 W2
• Calculated formula: C60 H60 N8 O8 W2
• SMILES: O(c1ccc(cc1)N1[W]234[N](=CN([W]4(N(C=[N]2c2ccc(OC)cc2)c2ccc(OC)cc2)([N](=C1)c1ccc(OC)cc1)[N](=CN3c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)C
• 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: 10.272 ± 0.002 Å
• b: 10.38 ± 0.002 Å
• c: 13.952 ± 0.003 Å
• α: 80.42 ± 0.03°
• β: 75.61 ± 0.03°
• γ: 81.69 ± 0.03°
• Cell volume: 1412.5 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No