Information card for entry 4328510

Structure parameters

• Formula: C16.5 H20 Cl2 Mo N2 O5
• Calculated formula: C16.5 H20 Cl2 Mo N2 O5
• SMILES: [Mo]123(Cl)([n]4ccccc4C=[N]1C(C(=O)OC)CO)(C#[O])(C#[O])[CH2]=[C]2(C3)C.C(Cl)Cl
• 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: 9.625 ± 0.002 Å
• b: 11.315 ± 0.003 Å
• c: 18.996 ± 0.004 Å
• α: 80.184 ± 0.004°
• β: 86.999 ± 0.004°
• γ: 82.72 ± 0.004°
• Cell volume: 2021.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No