Information card for entry 4071252

Structure parameters

• Formula: C36 H42 Mn O2 P
• Calculated formula: C36 H42 Mn O2 P
• Title of publication: Directed Formation of Allene Complexes upon Reaction of Non-heteroatom-Substituted Manganese Alkynyl Carbene Complexes with Nucleophiles
• Authors of publication: Sentets, Stéphane; Serres, Rémi; Ortin, Yannick; Lugan, Noël; Lavigne, Guy
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 2078
• a: 9.2247 ± 0.0009 Å
• b: 11.1454 ± 0.001 Å
• c: 30.466 ± 0.003 Å
• α: 90°
• β: 97.174 ± 0.011°
• γ: 90°
• Cell volume: 3107.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No