Information card for entry 2220644

Structure parameters

• Common name: copper L-alaninato 2,2-bipyridyl complex
• Chemical name: <i>catena</i>-Poly[[[(2,2'-bipyridyl)copper(II)]-μ-L-alaninato] perchlorate monohydrate]
• Formula: C13 H16 Cl Cu N3 O7
• Calculated formula: C13 H16 Cl Cu N3 O7
• SMILES: [Cu]12(OC(=O)[C@@H]([NH2]2)C)([n]2ccccc2c2[n]1cccc2)[O]=C1O[Cu]2([n]3ccccc3c3[n]2cccc3)[NH2][C@H]1C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.[Cu]12(OC(=O)[C@H]([NH2]2)C)([n]2ccccc2c2[n]1cccc2)[O]=C1O[Cu]2([n]3ccccc3c3[n]2cccc3)[NH2][C@@H]1C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: <i>catena</i>-Poly[[[(2,2'-bipyridyl)copper(II)]-μ-<small>L</small>-alaninato] perchlorate monohydrate]
• Authors of publication: Braban, Mircea; Haiduc, Ionel; Lönnecke, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m51
• a: 13.1807 ± 0.001 Å
• b: 8.2656 ± 0.0006 Å
• c: 16.1195 ± 0.0013 Å
• α: 90°
• β: 110.606 ± 0.002°
• γ: 90°
• Cell volume: 1643.8 ± 0.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes