Information card for entry 4073544

Structure parameters

• Formula: C38 H42 B2 K2 Mn2 N8 O8
• Calculated formula: C38 H42 B2 K2 Mn2 N8 O8
• Title of publication: Mn(CO)2Complexes of Cyclopentadienyl/Scorpionate Hybrid Ligands
• Authors of publication: Kunz, Kerstin; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4663
• a: 11.8591 ± 0.0011 Å
• b: 8.2372 ± 0.0005 Å
• c: 23.1905 ± 0.0019 Å
• α: 90°
• β: 100.31 ± 0.007°
• γ: 90°
• Cell volume: 2228.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No