Information card for entry 4328518

Structure parameters

• Formula: C23 H32 Br Mo N3 O6
• Calculated formula: C23 H32 Br Mo N3 O6
• SMILES: [Mo]123(Br)([n]4ccccc4C=[N]1CC(=O)N[C@H](C(=O)O)C(C)C)(C#[O])(C#[O])[CH2]=[C]2(C3)C.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: 9.609 ± 0.006 Å
• b: 12.09 ± 0.007 Å
• c: 24.349 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2829 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No