Information card for entry 7028518

Structure parameters

• Formula: C38 H24 Mn2 N12 Na2 O6
• Calculated formula: C38 H24 Mn2 N12 Na2 O6
• SMILES: [Na]123[n]4(ccc5[n]4[Mn](C#[O])(C#[O])(C#[O])([n]4ccccc54)[n]4n2c(c2[n]1cccc2)cc4)[Na]12[n]43ccc3[n]4[Mn](C#[O])(C#[O])(C#[O])([n]4ccccc34)[n]3n2c(c2[n]1cccc2)cc3
• 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: 15.639 ± 0.006 Å
• b: 12.712 ± 0.005 Å
• c: 19.58 ± 0.008 Å
• α: 90°
• β: 92.759 ± 0.007°
• γ: 90°
• Cell volume: 3888 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No