Information card for entry 2203507

Structure parameters

• Chemical name: Poly[[[(1,10-phenanthroline-κ^2^N,N')cobalt(II)]-μ^3^-5-hydroxyisophthalato- κ^4^O,O':O'':O'''] monohydrate]
• Formula: C20 H14 Co N2 O6
• Calculated formula: C20 H14 Co N2 O6
• SMILES: [Co]123([O]=C(O1)c1cc(cc(O)c1)C(=[O]1)O[Co]45([O]=C(O5)c5cc(cc(O)c5)C(=[O]5)O3)([n]3cccc6c3c3[n]4cccc3cc6)OC(c3cc(cc(O)c3)C(=O)[O-])=[O][Co]31[n]1cccc4c1c1[n]3cccc1cc4)([n]1cccc3c1c1[n]2cccc1cc3)OC(c1cc(cc(O)c1)C([O-])=O)=[O][Co]15[n]2cccc3c2c2[n]1cccc2cc3.O.O.O.O
• Title of publication: Poly[[[(1,10-phenanthroline-κ^2^<i>N,N</i>')cobalt(II)]-μ~3~-5-hydroxyisophthalato-κ^4^<i>O,O</i>':<i>O</i>'':<i>O</i>'''] monohydrate]
• Authors of publication: Xin-Yi Cao; Jian Zhang; Yao Kang; Jian-Kai Cheng; Zhao-Ji Li; Xiao-Qin Wan; Yuan-Gen Yao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m460 - m461
• a: 8.5218 ± 0.001 Å
• b: 12.044 ± 0.001 Å
• c: 17.028 ± 0.002 Å
• α: 90°
• β: 101.599 ± 0.005°
• γ: 90°
• Cell volume: 1712 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes