Information card for entry 4328516

Structure parameters

• Formula: C15 H16 Br Mo N3 O5
• Calculated formula: C15 H16 Br Mo N3 O5
• SMILES: [Mo]123(Br)([n]4ccccc4C=[N]1CC(=O)NCC(=O)O)(C#[O])(C#[O])[CH2]=[CH]2C3
• 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: 7.6722 ± 0.0016 Å
• b: 13.827 ± 0.003 Å
• c: 33.483 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3552 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No