Information card for entry 2013893

Structure parameters

• Chemical name: Chloro(L-glutamato-κ^2^N,O)(1,10-phenanthroline-κ^2^N,N')copper(II) monohydrate
• Formula: C17 H18 Cl Cu N3 O5
• Calculated formula: C17 H18 Cl Cu N3 O5
• SMILES: [Cu]12(Cl)([n]3cccc4c3c3[n]1cccc3cc4)[NH2][C@H](C(=O)O2)CCC(=O)O.O
• Title of publication: Chloro(<small>L</small>-glutamato-κ^2^<i>N</i>,<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate
• Authors of publication: Lu, Li-Ping; Zhu, Miao-Li; Yang, Pin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m21 - m23
• a: 8.3022 ± 0.0014 Å
• b: 10.0591 ± 0.0017 Å
• c: 12.393 ± 0.002 Å
• α: 66.73 ± 0.002°
• β: 72.047 ± 0.002°
• γ: 68.828 ± 0.002°
• Cell volume: 869.9 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes