Information card for entry 2227122

Structure parameters

• Chemical name: <i>catena</i>-Poly[diacridinium [zinc(II)-di-μ-pyrazine-2,3-dicarboxylato- κ^3^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^3^;<i>O</i>^3^:<i>N</i>^1^,<i>O</i>^2^]]
• Formula: C38 H24 N6 O8 Zn
• Calculated formula: C38 H24 N6 O8 Zn
• SMILES: [Zn]123(OC(=O)c4[n]3ccnc4C(=O)O[Zn]3OC(=O)c4[n]3ccnc4C(=O)O2)(OC(=O)c2nccnc2C(=O)[O-])OC(=O)c2[n]1ccnc2C(=O)[O-].[nH+]1c2ccccc2cc2ccccc12.[nH+]1c2ccccc2cc2ccccc12.[nH+]1c2ccccc2cc2ccccc12.[nH+]1c2ccccc2cc2ccccc12
• Title of publication: <i>catena</i>-Poly[diacridinium [zinc(II)-di-μ-pyrazine-2,3-dicarboxylato-κ^3^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^3^;<i>O</i>^3^:<i>N</i>^1^,<i>O</i>^2^]]
• Authors of publication: Eshtiagh-Hosseini, Hossein; Aghabozorg, Hossein; Mirzaei, Masoud
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m882
• a: 13.2256 ± 0.0012 Å
• b: 6.8141 ± 0.0006 Å
• c: 17.9889 ± 0.0016 Å
• α: 90°
• β: 111.013 ± 0.002°
• γ: 90°
• Cell volume: 1513.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes