Information card for entry 7012531

Structure parameters

• Formula: C62 H57 Cl F6 N P4 Ru Sb
• Calculated formula: C62 H57 Cl F6 N P4 Ru Sb
• Title of publication: Aminoallenylidene complexes of ruthenium(II) from the regioselective addition of secondary amines to butatrienylidene intermediates: a combined experimental and theoretical study of the hindered rotation around the CN-bond
• Authors of publication: Rainer F. Winter; Stephan Hartmann; Stanislav Záliš; Karl Wilhelm Klinkhammer
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2342 - 2352
• a: 12.8677 ± 0.0009 Å
• b: 24.811 ± 0.003 Å
• c: 21.3714 ± 0.0016 Å
• α: 90°
• β: 106.557 ± 0.004°
• γ: 90°
• Cell volume: 6540.1 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No