Information card for entry 2223836

Structure parameters

• Chemical name: <i>catena</i>-Poly[[zinc(II)-bis[μ-1,3-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^]] dinitrate methanol solvate]
• Formula: C29 H32 N10 O7 Zn
• Calculated formula: C29 H32 N10 O7 Zn
• SMILES: [Zn]1[n]2cn(cc2)Cc2cccc(c2)Cn2cc[n](c2)[Zn]([n]2cn(cc2)Cc2cccc(c2)Cn2ccnc2)([n]2cn(cc2)Cc2cccc(c2)Cn2ccnc2)[n]2cn(cc2)Cc2cccc(c2)Cn2cc[n]1c2.N(=O)(=O)[O-].N(=O)(=O)[O-].CO.N(=O)(=O)[O-].N(=O)(=O)[O-].CO
• Title of publication: <i>catena</i>-Poly[[zinc(II)-bis[μ-1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] dinitrate methanol solvate]
• Authors of publication: Dobrzańska, Liliana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1326 - m1327
• a: 9.88 ± 0.002 Å
• b: 12.711 ± 0.003 Å
• c: 13.127 ± 0.003 Å
• α: 68.798 ± 0.004°
• β: 83.167 ± 0.004°
• γ: 87.476 ± 0.004°
• Cell volume: 1526 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes