Information card for entry 4073546

Structure parameters

• Formula: C24 H37 B K Mn N2 O8
• Calculated formula: C24 H37 B K Mn N2 O8
• SMILES: [Mn]12345(C#[O][K]6789%10[O]%11CC[O]6CC[O]7CC[O]8CC[O]9CC[O]%10CC%11)(C#[O])[n]6n([B](C)(C)[c]71[cH]2[cH]3[cH]4[cH]57)ccc6
• 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: 10.8194 ± 0.0007 Å
• b: 11.6661 ± 0.0007 Å
• c: 13.3634 ± 0.0009 Å
• α: 115.469 ± 0.005°
• β: 91.69 ± 0.005°
• γ: 106.515 ± 0.005°
• Cell volume: 1437.38 ± 0.18 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: 0.0296
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No