Information card for entry 4328856

Structure parameters

• Formula: C24 H23 Cl Mn2 N4 O12
• Calculated formula: C24 H23 Cl Mn2 N4 O12
• SMILES: [Mn]12([n]3ccccc3C=[N]1CCCO[Mn]1([n]3ccccc3C=[N]1CCC[OH]2)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].Cl(=O)(=O)(=O)[O-]
• Title of publication: Macrocycle Formation by Proton-Template-Induced Dimerization of Complexes with (Alkoxoimino)pyridine
• Authors of publication: Celedonio M. Álvarez; Raúl García-Rodríguez; Jose M. Martín-Alvarez; Daniel Miguel; José A. Turiel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3938 - 3940
• a: 18.98 ± 0.005 Å
• b: 10.061 ± 0.003 Å
• c: 30.99 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5918 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No