Information card for entry 2219587

Structure parameters

• Chemical name: catena-Poly[[aqua(dipyrido[3,2-a:2',3'-c]phenazine-κ^2^N^4^,N^5^)iron(II)]-μ- pyrazine-2,3-dicarboxylato-κ^3^N^1^,O^2^:O^3^]
• Formula: C24 H14 Fe N6 O5
• Calculated formula: C24 H14 Fe N6 O5
• SMILES: [Fe]12([OH2])([n]3cccc4c5c(c6ccc[n]1c6c34)nc1c(cccc1)n5)[n]1ccnc(c1C(=O)O2)C(=O)O[Fe]12([OH2])([n]3cccc4c5c(c6ccc[n]1c6c34)nc1c(cccc1)n5)[n]1ccnc(c1C(=O)O2)C(=O)O[Fe]1([OH2])[n]2cccc3c4c(c5ccc[n]1c5c23)nc1c(cccc1)n4
• 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^)iron(II)]-μ-pyrazine-2,3-dicarboxylato-κ^3^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^3^]
• Authors of publication: Xu, Zhan-Lin; Li, Xiu-Ying; Che, Guang-Bo; Lu, Lu; Xu, Chun-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1243 - m1244
• a: 6.7868 ± 0.0014 Å
• b: 7.4586 ± 0.0015 Å
• c: 20.548 ± 0.004 Å
• α: 90.75 ± 0.03°
• β: 95.89 ± 0.03°
• γ: 98.54 ± 0.03°
• Cell volume: 1022.8 ± 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: 0.1039
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes