Information card for entry 2201002

Structure parameters

• Formula: C8 H10 Cu N8 O6
• Calculated formula: C8 H10 Cu N8 O6
• SMILES: N1(=[O][Cu]2([n]3c(nccc3)N)(O1)([n]1c(nccc1)N)ON(=[O]2)=O)=O
• Title of publication: Redetermination of bis(2-aminopyrimidine)bis(nitrato)copper(II)
• Authors of publication: Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m55 - m57
• a: 5.691 ± 0.001 Å
• b: 7.091 ± 0.002 Å
• c: 8.983 ± 0.002 Å
• α: 81.02 ± 0.03°
• β: 81.46 ± 0.03°
• γ: 69.51 ± 0.03°
• Cell volume: 333.68 ± 0.15 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes