Information card for entry 2012751

Structure parameters

• Common name: I
• Chemical name: bis(2,2'-bipyridine)nitrocopper(II) nitrate methanol solvate
• Formula: C21 H20 Cu N6 O7
• Calculated formula: C21 H20 Cu N6 O7
• SMILES: c1cc2[n]([Cu]3([n]4c2cccc4)([n]2c(c4[n]3cccc4)cccc2)ON(=O)=O)cc1.N(=O)(=O)[O-].CO
• Title of publication: New structures in the bipyridine‒copper(II) nitrate‒methanol system: [(bpy)~2~Cu(NO~3~)]NO~3~·CH~3~OH and [(bpy)~2~Cu(NO~3~)]NO~3~
• Authors of publication: Zavalij, Peter Y.; Burton, Benjamin L.; Jones Jr, Wayne E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m330 - m333
• a: 7.6862 ± 0.0006 Å
• b: 11.8902 ± 0.0009 Å
• c: 13.3644 ± 0.0011 Å
• α: 109.492 ± 0.003°
• β: 92.902 ± 0.004°
• γ: 101.347 ± 0.004°
• Cell volume: 1119.9 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes