Information card for entry 7027938

Structure parameters

• Formula: C16 H9 Mn O6
• Calculated formula: C16 H9 Mn O6
• SMILES: [Mn]1234([c]5([cH]1[cH]3[cH]4[cH]25)C(=O)c1ccc(cc1)C(=O)O)(C#[O])(C#[O])C#[O]
• Title of publication: Influence of the metal complex-to-peptide linker on the synthesis and properties of bioactive CpMn(CO)3 peptide conjugates
• Authors of publication: Splith, Katrin; Neundorf, Ines; Hu, Wanning; N'Dongo, Harmel W. Peindy; Vasylyeva, Vera; Merz, Klaus; Schatzschneider, Ulrich
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2536 - 2545
• a: 6.364 ± 0.0012 Å
• b: 7.0047 ± 0.0013 Å
• c: 18.316 ± 0.003 Å
• α: 90.874 ± 0.006°
• β: 97.733 ± 0.005°
• γ: 114.416 ± 0.004°
• Cell volume: 734.4 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2196
• Weighted residual factors for all reflections included in the refinement: 0.2333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No