Information card for entry 2015822

Structure parameters

• Chemical name: Tetraaqua(1,10-phenanthroline-κ^2^N,N')cobalt(II) dinitrate:
• Formula: C12 H16 Co N4 O10
• Calculated formula: C12 H16 Co N4 O10
• SMILES: c1[n]2c3c(cc1)ccc1ccc[n]([Co]2([OH2])([OH2])([OH2])[OH2])c31.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) dinitrate: a hydrogen-bonded supramolecular network
• Authors of publication: Li, Zhi-Gang; Wang, Guan-Hua; Niu, Jia-Jia; Xu, Jing-Wei; Hu, Ning-Hai
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m94 - m96
• a: 13.9136 ± 0.0016 Å
• b: 10.4852 ± 0.0012 Å
• c: 12.3991 ± 0.0014 Å
• α: 90°
• β: 102.165 ± 0.002°
• γ: 90°
• Cell volume: 1768.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes