Information card for entry 7027937

Structure parameters

• Formula: C16 H9 Mn O6
• Calculated formula: C16 H9 Mn O6
• SMILES: [Mn]1234([cH]5[cH]2[cH]3[cH]1[c]45C(=O)c1cc(C(=O)O)ccc1)(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: 11.745 ± 0.002 Å
• b: 10.67 ± 0.002 Å
• c: 13.424 ± 0.003 Å
• α: 90°
• β: 113.63 ± 0.03°
• γ: 90°
• Cell volume: 1541.2 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No