Information card for entry 4311890

Structure parameters

• Common name: W2(D(Cl)PhF)4
• Chemical name: Ditungsten(II) tetra(N,N'-3,5-dichlorophenyl)formamidinate
• Formula: C52 H28 Cl16 N8 W2
• Calculated formula: C52 H28 Cl16 N8 W2
• SMILES: C1=[N](c2cc(cc(c2)Cl)Cl)[W]234[N](=CN([W]4([N](=CN2c2cc(cc(c2)Cl)Cl)c2cc(cc(c2)Cl)Cl)([N](=CN3c2cc(cc(c2)Cl)Cl)c2cc(cc(c2)Cl)Cl)N1c1cc(cc(c1)Cl)Cl)c1cc(cc(c1)Cl)Cl)c1cc(cc(c1)Cl)Cl
• 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: 9.8234 ± 0.0011 Å
• b: 11.7146 ± 0.0013 Å
• c: 14.3771 ± 0.0016 Å
• α: 97.897 ± 0.002°
• β: 104.285 ± 0.002°
• γ: 113.53 ± 0.002°
• Cell volume: 1417.2 ± 0.3 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: 0.0553
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No