Information card for entry 2214604

Structure parameters

• Chemical name: Bis[bis(1,10-phenanthroline-κ^2^<i>N,N</i>')\ (pentafluorobenzenecarboxylato)nitratomanganese(II)] [bis(1,10-phenanthroline-κ^2^N,N')dinitratomanganese(II)]
• Formula: C86 H48 F10 Mn3 N16 O16
• Calculated formula: C86 H48 F10 Mn3 N16 O16
• SMILES: C(=O)(c1c(c(F)c(c(c1F)F)F)F)O[Mn]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)ON(=O)=O.c1cc2c3[n](ccc2)[Mn]2([n]4cccc1c34)([n]1cccc3c1c1[n]2cccc1cc3)(ON(=O)=O)ON(=O)=O.C(=O)(c1c(c(c(c(c1F)F)F)F)F)O[Mn]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)ON(=O)=O
• Title of publication: Bis[nitratobis(pentafluorobenzoato)(1,10-phenanthroline-κ^2^<i>N,N</i>')manganese(II)] dinitratobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)
• Authors of publication: Zhang, Xiangdong; Ge, Chunhua; Zhang, Xiaoyan; Guo, Ya'nan; Liu, Qitao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2237 - m2238
• a: 45.889 ± 0.003 Å
• b: 10.1112 ± 0.0006 Å
• c: 17.7948 ± 0.001 Å
• α: 90°
• β: 110.756 ± 0.001°
• γ: 90°
• Cell volume: 7720.8 ± 0.8 ų
• Cell temperature: 295 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes