Information card for entry 2227992

Structure parameters

• Chemical name: (5-Aminoisophthalato-κ<i>N</i>)triaqua(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cobalt(II) trihydrate
• Formula: C20 H25 Co N3 O10
• Calculated formula: C20 H25 Co N3 O10
• SMILES: [Co]1([OH2])([OH2])([OH2])([NH2]c2cc(cc(c2)C(=O)[O-])C(=O)[O-])[n]2cccc3c2c2[n]1cccc2cc3.O.O.O
• Title of publication: (5-Aminoisophthalato-κ<i>N</i>)triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) trihydrate
• Authors of publication: Zhang, Kou-Lin; Diao, Guo-Wang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1421
• a: 10.1182 ± 0.0002 Å
• b: 13.9659 ± 0.0002 Å
• c: 16.285 ± 0.0002 Å
• α: 90°
• β: 95.827 ± 0.001°
• γ: 90°
• Cell volume: 2289.34 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0316
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes