Information card for entry 2008590

Structure parameters

• Chemical name: Chloro(di-2-pyridylamine-N,N')(propionato-O,O')copper(II) Monohydrate
• Formula: C13 H16 Cl Cu N3 O3
• Calculated formula: C13 H16 Cl Cu N3 O3
• SMILES: [Cu](Cl)12(OC(=[O]1)CC)[n]1ccccc1Nc1[n]2cccc1.O
• Title of publication: Chloro(di-2-pyridyl-κ<i>N</i>-amine)(propionato-κ^2^<i>O</i>,<i>O</i>')copper(II) monohydrate
• Authors of publication: Sujittra Youngme; Kandasamy Chinnakali; Suchada Chantrapromma; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 899 - 901
• a: 7.3993 ± 0.0002 Å
• b: 8.9006 ± 0.0002 Å
• c: 11.7469 ± 0.0003 Å
• α: 101.651 ± 0.001°
• β: 100.54 ± 0.001°
• γ: 93.448 ± 0.001°
• Cell volume: 741.11 ± 0.03 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: 0.037
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No