Information card for entry 2216484

Structure parameters

• Chemical name: catena-Poly[[aqua(dipyrido[3,2-a:2',3'-c]phenazine)cobalt(II)]-μ-benzene- 1,4-dicarboxylato]
• Formula: C26 H16 Co N4 O5
• Calculated formula: C26 H16 Co N4 O5
• SMILES: [Co]12([OH2])([n]3c4c(c5nc6c(nc5c5c4[n]2ccc5)cccc6)ccc3)OC(=[O]1)c1ccc(cc1)C1=[O][Co]2(O1)([OH2])([n]1c3c(c4nc5c(nc4c4c3[n]2ccc4)cccc5)ccc1)OC(=O)c1ccc(cc1)C(=O)O[Co]12([OH2])([n]3c4c(c5nc6c(nc5c5c4[n]2ccc5)cccc6)ccc3)OC(=[O]1)c1ccc(cc1)C1=[O][Co]2(O1)([OH2])([n]1c3c(c4nc5c(nc4c4c3[n]2ccc4)cccc5)ccc1)OC(=O)c1ccc(cc1)C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[aqua(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)cobalt(II)]-μ-benzene-1,4-dicarboxylato]
• Authors of publication: Fang-Wei; Ze-Min Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3098 - m3099
• a: 10.5218 ± 0.0019 Å
• b: 11.742 ± 0.002 Å
• c: 18.077 ± 0.003 Å
• α: 90°
• β: 101.281 ± 0.004°
• γ: 90°
• Cell volume: 2190.2 ± 0.7 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes