Information card for entry 4328519

Structure parameters

• Formula: C22 H29 Cl Mo N4 O7
• Calculated formula: C22 H29 Cl Mo N4 O7
• SMILES: [Mo]123(Cl)([n]4ccccc4C=[N]1CC(=O)NCC(=O)NCC(=O)O)(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: 8.7 ± 0.003 Å
• b: 10.292 ± 0.003 Å
• c: 15.972 ± 0.005 Å
• α: 81.354 ± 0.007°
• β: 74.841 ± 0.006°
• γ: 73.947 ± 0.007°
• Cell volume: 1321.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No