Information card for entry 7028516

Structure parameters

• Formula: C26 H20 N6 O7 Re2
• Calculated formula: C26 H20 N6 O7 Re2
• SMILES: C([Re]12(C#[O])([n]3ccccc3c3n1[n](cc3)[Re]1(C#[O])(C#[O])(C#[O])[n]3ccccc3c3n1[n]2cc3)C#[O])#[O].C1CCCO1
• 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: 13.196 ± 0.004 Å
• b: 13.787 ± 0.005 Å
• c: 15.404 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2802.5 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No