Information card for entry 2014584

Structure parameters

• Chemical name: Aquadichloro(di-2-pyridyldiazene)copper(II) monohydrate
• Formula: C10 H12 Cl2 Cu N4 O2
• Calculated formula: C10 H12 Cl2 Cu N4 O2
• SMILES: [Cu]1(Cl)(Cl)([n]2c(cccc2)N=[N]1c1ccccn1)[OH2].O
• Title of publication: Aquadichloro(di-2-pyridyldiazene)copper(II) monohydrate
• Authors of publication: Uçar, İbrahim; Arslan, Figen; Bulut, Ahmet; İçbudak, Hasan; Ölmez, Hali̇s; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m523 - m525
• a: 8.072 ± 0.005 Å
• b: 8.279 ± 0.005 Å
• c: 11.327 ± 0.005 Å
• α: 76.195 ± 0.005°
• β: 73.134 ± 0.005°
• γ: 74.199 ± 0.005°
• Cell volume: 686.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes