Information card for entry 4324052

Structure parameters

• Formula: C14 H24 Cl2 Mo N
• Calculated formula: C14 H24 Cl2 Mo N
• SMILES: [Mo]1234(Cl)(Cl)(=NC(C)(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Syntheses, Structures, and Reactivity of a Series of (Pentamethylcyclopentadienyl)molybdenum(V) and -tungsten(V) Imido Complexes
• Authors of publication: Katrin Köhler; Herbert W. Roesky; Axel Herzog; Heinz Gornitzka; Alexander Steiner; Isabel Usón
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 1773 - 1777
• a: 8.604 ± 0.001 Å
• b: 12.049 ± 0.001 Å
• c: 17.02 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1764.5 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for all reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.0561
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No