Information card for entry 2232198

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquamanganese(II)]-bis[μ-1,3-bis(1<i>H</i>-imidazol-1- ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] dinitrate]
• Formula: C28 H32 Mn N10 O8
• Calculated formula: C28 H32 Mn N10 O8
• SMILES: [Mn]1([OH2])([OH2])[n]2cn(cc2)Cc2cccc(c2)Cn2c[n](cc2)[Mn]([OH2])([OH2])([n]2cn(Cc3cccc(c3)Cn3cncc3)cc2)([n]2cn(Cc3cccc(c3)Cn3cncc3)cc2)[n]2cn(Cc3cccc(c3)Cn3c[n]1cc3)cc2.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[diaquamanganese(II)]-bis[μ-1,3-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] dinitrate]
• Authors of publication: Wang, Xiao-Dan; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1480
• a: 8.393 ± 0.007 Å
• b: 9.843 ± 0.007 Å
• c: 10.634 ± 0.007 Å
• α: 98.11 ± 0.03°
• β: 108.42 ± 0.03°
• γ: 98.77 ± 0.03°
• Cell volume: 806.8 ± 1.1 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: 0.0824
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No