Information card for entry 4069428

Structure parameters

• Formula: C68 H74 B4 K4 Mn2 N24 O10
• Calculated formula: C68 H74 B4 K4 Mn2 N24 O10
• Title of publication: Photochemistry of Cymantrenyl Scorpionates: Formation of a Novel Tritopic Cyclopentadienyl/Scorpionate Hybrid Ligand
• Authors of publication: Kunz, Kerstin; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 3079
• a: 10.3852 ± 0.0016 Å
• b: 11.819 ± 0.002 Å
• c: 17.954 ± 0.003 Å
• α: 103.277 ± 0.013°
• β: 95.658 ± 0.012°
• γ: 108.072 ± 0.012°
• Cell volume: 2004.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2168
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.2846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No