Information card for entry 2219161

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aqua(dipyrido[3,2-a:2',3'-c]phenazine- κ^2^N^4^,N^5^)zinc(II)]-μ-pyrazine-2,3-dicarboxylato-κ^3^N^1^,O^2^:O^3^]
• Formula: C24 H14 N6 O5 Zn
• Calculated formula: C24 H14 N6 O5 Zn
• SMILES: [Zn]12([n]3cccc4c5c(c6ccc[n]1c6c34)nc1c(cccc1)n5)([n]1c(c(C(=O)[O-])ncc1)C(=O)O2)([OH2])OC(=O)c1c2C(=O)O[Zn]3([n]4cccc5c6c(c7ccc[n]3c7c45)nc3c(cccc3)n6)([n]2ccn1)[OH2]
• Title of publication: <i>catena</i>-Poly[[aqua(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine-κ^2^<i>N</i>^4^,<i>N</i>^5^)zinc(II)]-μ-pyrazine-2,3-dicarboxylato-κ^3^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^3^]
• Authors of publication: Wang, Xin; Li, Xiu-Ying; Wang, Qing-Wei; Che, Guang-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1078 - m1079
• a: 6.7821 ± 0.0014 Å
• b: 7.4349 ± 0.0015 Å
• c: 20.41 ± 0.004 Å
• α: 91.26 ± 0.03°
• β: 95.77 ± 0.03°
• γ: 98.16 ± 0.03°
• Cell volume: 1012.9 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1476
• 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