Information card for entry 2204961

Structure parameters

• Chemical name: Bis(2,2'-bipyridine)nitratocopper(II) nitrate
• Formula: C20 H16 Cu N6 O6
• Calculated formula: C20 H16 Cu N6 O6
• SMILES: [Cu]123([n]4c(cccc4)c4[n]1cccc4)([n]1c(cccc1)c1[n]2cccc1)ON(=[O]3)=O.N(=O)(=O)[O-]
• Title of publication: Bis(2,2'-bipyridine)nitratocopper(II) nitrate
• Authors of publication: Marjani, Katayoun; Davies, Sian C.; Durrant, Marcus C.; Hughes, David L.; Khodamorad, Nejat; Samodi, Assadolah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m11 - m14
• a: 11.3309 ± 0.0013 Å
• b: 12.2714 ± 0.0014 Å
• c: 15.0877 ± 0.0015 Å
• α: 90°
• β: 98.281 ± 0.008°
• γ: 90°
• Cell volume: 2076 ± 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: 0.1264
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes