Information card for entry 2215080

Structure parameters

• Chemical name: <i>catena</i>-poly[[nitrato(1,10-phenanthroline)copper(II)]-μ-nitrato]
• Formula: C12 H8 Cu N4 O6
• Calculated formula: C12 H8 Cu N4 O6
• SMILES: [Cu]1([n]2cccc3c2c2[n]1cccc2cc3)(ON(=O)=O)(ON(=O)=O)[O]=N(=O)O[Cu]1([n]2c3c4[n]1cccc4ccc3ccc2)ON(=O)=O
• Title of publication: Redetermination of <i>catena</i>-poly[[nitrato(1,10-phenanthroline)copper(II)]-μ-nitrato]
• Authors of publication: Zhou, Xiao-Chun; Liu, Yin-Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2268 - m2268
• a: 8.7832 ± 0.0015 Å
• b: 9.1136 ± 0.0016 Å
• c: 17.173 ± 0.003 Å
• α: 90°
• β: 101.686 ± 0.002°
• γ: 90°
• Cell volume: 1346.1 ± 0.4 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: 0.0283
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes