Information card for entry 7027936

Structure parameters

• Formula: C13 H11 Mn O6
• Calculated formula: C13 H11 Mn O6
• SMILES: [Mn]1234([cH]5[cH]1[c]2([cH]3[cH]45)C(=O)CCCC(=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: 6.435 ± 0.003 Å
• b: 19.001 ± 0.009 Å
• c: 10.92 ± 0.006 Å
• α: 90°
• β: 100.964 ± 0.009°
• γ: 90°
• Cell volume: 1310.8 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No