Information card for entry 4073550

Structure parameters

• Formula: C10 H9 Mn N2 O2
• Calculated formula: C10 H9 Mn N2 O2
• SMILES: [Mn]1234(C#[O])(C#[O])([n]5[nH]ccc5)[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 7.8006 ± 0.001 Å
• b: 9.3963 ± 0.0008 Å
• c: 14.452 ± 0.0018 Å
• α: 90°
• β: 90.86 ± 0.01°
• γ: 90°
• Cell volume: 1059.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No