Information card for entry 4069431

Structure parameters

• Formula: C90 H122 B4 K2 Mn3 N24 O20
• Calculated formula: C90 H122 B4 K2 Mn3 N24 O20
• 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: 12.115 ± 0.002 Å
• b: 17.307 ± 0.002 Å
• c: 27.462 ± 0.005 Å
• α: 90°
• β: 95.284 ± 0.014°
• γ: 90°
• Cell volume: 5733.6 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.3623
• Residual factor for significantly intense reflections: 0.129
• Weighted residual factors for significantly intense reflections: 0.2568
• Weighted residual factors for all reflections included in the refinement: 0.3754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No