Information card for entry 4311885

Structure parameters

• Chemical name: N-(3,5-dichlorophenyl)-formamide
• Formula: C7 H5 Cl2 N O
• Calculated formula: C7 H5 Cl2 N O
• SMILES: O=CNc1cc(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: 7.9426 ± 0.0012 Å
• b: 14.724 ± 0.002 Å
• c: 7.2916 ± 0.0011 Å
• α: 90°
• β: 109.526 ± 0.002°
• γ: 90°
• Cell volume: 803.7 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No