Information card for entry 4328511

Structure parameters

• Formula: C17 H19 Br Mn N3 O7
• Calculated formula: C17 H19 Br Mn N3 O7
• SMILES: [Mn]1(Br)(C#[O])(C#[O])(C#[O])[n]2ccccc2C=[N]1CC(=O)NCC(=O)O.O1CCCC1
• Title of publication: Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains
• Authors of publication: Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2984 - 2996
• a: 23.663 ± 0.006 Å
• b: 9.677 ± 0.002 Å
• c: 9.539 ± 0.002 Å
• α: 90°
• β: 96.507 ± 0.005°
• γ: 90°
• Cell volume: 2170.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1135
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No