Information card for entry 2241879

Structure parameters

• Chemical name: Bis(μ-4-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[bis(4-methylpyridine-κ<i>N</i>)(4-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')manganese(II)]
• Formula: C52 H44 Mn2 N8 O16
• Calculated formula: C52 H44 Mn2 N8 O16
• SMILES: N(=O)(=O)c1ccc(C2=[O][Mn]3(O2)([n]2ccc(cc2)C)([n]2ccc(cc2)C)[O]=C(O[Mn]2([n]4ccc(cc4)C)([n]4ccc(cc4)C)([O]=C(O2)c2ccc(N(=O)=O)cc2)[O]=C(O3)c2ccc(N(=O)=O)cc2)c2ccc(N(=O)=O)cc2)cc1
• Title of publication: Crystal structure of bis(μ-4-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[bis(4-methylpyridine-κ<i>N</i>)(4-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')manganese(II)]
• Authors of publication: Bharali, Sourav J.; Bora, Sanchay J.; Das, Birinchi K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 1549 - 1553
• a: 8.8337 ± 0.0003 Å
• b: 12.424 ± 0.0004 Å
• c: 12.9995 ± 0.0004 Å
• α: 94.357 ± 0.001°
• β: 99.607 ± 0.001°
• γ: 107.27 ± 0.001°
• Cell volume: 1331.28 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes