Information card for entry 2241498

Structure parameters

• Chemical name: Bis(μ-2-benzoylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)] bis(perchlorate)
• Formula: C68 H50 Cl2 Mn2 N8 O14
• Calculated formula: C68 H50 Cl2 Mn2 N8 O14
• SMILES: [n]12ccccc1c1cccc[n]1[Mn]132([O]=C(O[Mn]24([n]5ccccc5c5cccc[n]25)([n]2ccccc2c2[n]4cccc2)[O]=C(O3)c2ccccc2C(=O)c2ccccc2)c2ccccc2C(=O)c2ccccc2)[n]2ccccc2c2cccc[n]12.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Crystal structure of bis(μ-2-benzoylbenzoato-κ^2^<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: Kani, Ibrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m265 - m266
• a: 13.348 ± 0.004 Å
• b: 17.136 ± 0.005 Å
• c: 14.499 ± 0.004 Å
• α: 90°
• β: 111.321 ± 0.01°
• γ: 90°
• Cell volume: 3089.4 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes