Information card for entry 2213274

Structure parameters

• Chemical name: (1-Ammonioethylidenediphosphonato-κ^2^O,O)(2,2'-bipyridyl- κ^2^N,N')chloridocopper(II)
• Formula: C12 H16 Cl Cu N3 O6 P2
• Calculated formula: C12 H16 Cl Cu N3 O6 P2
• SMILES: [Cu]12(Cl)([n]3ccccc3c3cccc[n]13)OP(=O)(C(P(=O)(O2)O)(C)[NH3+])O
• Title of publication: (1-Ammonioethylidenediphosphonato-κ^2^<i>O</i>,<i>O</i>)(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')chloridocopper(II)
• Authors of publication: Ming Li; Ju-Tang Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1370 - m1372
• a: 13.1203 ± 0.0012 Å
• b: 8.649 ± 0.0008 Å
• c: 15.1501 ± 0.0014 Å
• α: 90°
• β: 108.367 ± 0.001°
• γ: 90°
• Cell volume: 1631.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.033
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes