Information card for entry 2235904

Structure parameters

• Chemical name: Bis[2,6-bis(1-methyl-1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine- κ<i>N</i>]zinc dipicrate methanol disolvate
• Formula: C56 H46 N16 O16 Zn
• Calculated formula: C56 H46 N16 O16 Zn
• SMILES: [Zn]1234([n]5c6ccccc6n(c5c5[n]2c(ccc5)c2[n]1c1c(n2C)cccc1)C)[n]1c2ccccc2n(c1c1[n]4c(ccc1)c1[n]3c2c(n1C)cccc2)C.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.OC.OC
• Title of publication: Bis[2,6-bis(1-methyl-1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>]zinc dipicrate methanol disolvate
• Authors of publication: Fan, Xuyang; Yuan, Jingkun; Bai, Ying; Kong, Jin; Wu, Huilu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1072
• a: 13.2007 ± 0.0003 Å
• b: 13.8024 ± 0.0003 Å
• c: 16.2009 ± 0.0003 Å
• α: 80.811 ± 0.001°
• β: 71.012 ± 0.001°
• γ: 88.538 ± 0.001°
• Cell volume: 2754.28 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes