Information card for entry 4311891

Structure parameters

• Common name: W2(D(Cl)PhF)4(mu-o)(mu-N-C6H3Cl2)
• Formula: C58 H31 Cl18 N9 O W2
• Calculated formula: C58 H31 Cl18 N9 O W2
• SMILES: [W]12345([W]6(O1)(N2c1cc(Cl)cc(Cl)c1)([N](=CN3c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)(N(C=[N]4c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)[N](=CN6c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)[N](=CN5c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1
• 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: 12.708 ± 0.003 Å
• b: 13.846 ± 0.004 Å
• c: 21.235 ± 0.006 Å
• α: 72.053 ± 0.005°
• β: 75.449 ± 0.004°
• γ: 71.703 ± 0.005°
• Cell volume: 3325.1 ± 1.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No