Information card for entry 7028517

Structure parameters

• Formula: C23 H22 Li Mn N6 O5
• Calculated formula: C23 H22 Li Mn N6 O5
• SMILES: [Mn]1(C#[O])(C#[O])(C#[O])([n]2ccccc2c2n1ncc2)n1[n]2[Li]([n]3ccccc3c2cc1)([O]1CCCC1)[OH2]
• Title of publication: Homo- and heteropolymetallic 3-(2-pyridyl)pyrazolate manganese and rhenium complexes.
• Authors of publication: Arroyo, Marta; Gómez-Iglesias, Patricia; Antón, Noelia; García-Rodríguez, Raúl; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Miguel, Daniel; Villafañe, Fernando
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 4009 - 4020
• a: 11.4703 ± 0.0011 Å
• b: 10.3819 ± 0.0009 Å
• c: 20.924 ± 0.002 Å
• α: 90°
• β: 96.452 ± 0.009°
• γ: 90°
• Cell volume: 2475.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No