Information card for entry 2015814

Structure parameters

• Chemical name: (azido-κN)bis(di-2-pyridylamine)copper(II) chloride tetrahydrate
• Formula: C20 H26 Cl Cu N9 O4
• Calculated formula: C20 H26 Cl Cu N9 O4
• SMILES: [Cu]12([n]3ccccc3Nc3[n]1cccc3)([n]1ccccc1Nc1[n]2cccc1)N=N#N.[Cl-].O.O.O.O
• Title of publication: (Azido-κ<i>N</i>)bis(di-2-pyridylamine)copper(II) hexafluorophosphate and (azido-κ<i>N</i>)bis(di-2-pyridylamine)copper(II) chloride tetrahydrate
• Authors of publication: Youngme, Sujittra; Phatchimkun, Jaturong; Pakawatchai, Chaveng; Prabpai, Samran; Kongsaeree, Palangpon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m45 - m47
• a: 7.056 ± 0.0002 Å
• b: 27.836 ± 0.0013 Å
• c: 12.878 ± 0.0006 Å
• α: 90°
• β: 99.009 ± 0.002°
• γ: 90°
• Cell volume: 2498.18 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes