Information card for entry 2207399

Structure parameters

• Chemical name: Diazido[N,N-bis(2-pyridylmethyl-κN)glycine-κ^2^N,O]copper(II) monohydrate
• Formula: C14 H17 Cu N9 O3
• Calculated formula: C14 H14 Cu N9 O3
• SMILES: [Cu]123([n]4c(cccc4)C[N]3(Cc3[n]1cccc3)CC(=O)[OH]2)(N=N#N)N=N#N.O
• Title of publication: Diazido[<i>N</i>,<i>N</i>-bis(2-pyridylmethyl-κ<i>N</i>)glycine-κ^2^<i>N</i>,<i>O</i>]copper(II) monohydrate
• Authors of publication: Cui, Yun-Cheng; Che, Guang-Bo; Liu, Chun-Bo; Li, Chuan-Bi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2355 - m2356
• a: 13.5526 ± 0.0006 Å
• b: 9.5725 ± 0.0005 Å
• c: 14.3309 ± 0.0007 Å
• α: 90°
• β: 114.072 ± 0.002°
• γ: 90°
• Cell volume: 1697.49 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes