Information card for entry 4087352

Structure parameters

• Formula: C37 H46 Mn N2
• Calculated formula: C37 H46 Mn N2
• Title of publication: Synthesis and Structure of Allyl and Alkynyl Complexes of Manganese(II) Supported by a Bulky β-Diketiminate Ligand
• Authors of publication: Chai, Jianfang; Zhu, Hongping; Roesky, Herbert W.; Yang, Zhi; Jancik, Vojtech; Herbst-Irmer, Regine; Schmidt, Hans-Georg; Noltemeyer, Mathias
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 21
• Pages of publication: 5003 - 5006
• a: 14.01 ± 0.001 Å
• b: 13.257 ± 0.001 Å
• c: 17.697 ± 0.001 Å
• α: 90°
• β: 98.59 ± 0.01°
• γ: 90°
• Cell volume: 3250 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No