Information card for entry 2207470

Structure parameters

• Chemical name: Di-μ-acetato-κ^4^O:O'-bis[bis(2,2'-bipyridine-κ^2^N,N')manganese(II)] bis(perchlorate)
• Formula: C44 H38 Cl2 Mn2 N8 O12
• Calculated formula: C44 H38 Cl2 Mn2 N8 O12
• SMILES: [n]12ccccc2c2cccc[n]2[Mn]231([n]1ccccc1c1[n]2cccc1)[O]=C(O[Mn]12([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1[n]2cccc1)[O]=C(O3)C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)] bis(perchlorate)
• Authors of publication: Xue-Li Niu; Jian-Min Dou; Chang-Wen Hu; Da-Cheng Li; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2538 - m2540
• a: 10.436 ± 0.003 Å
• b: 10.542 ± 0.003 Å
• c: 11.756 ± 0.004 Å
• α: 78.135 ± 0.004°
• β: 73.553 ± 0.004°
• γ: 67.874 ± 0.004°
• Cell volume: 1141.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0895
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes