Information card for entry 2200886

Structure parameters

• Common name: Dichlorobis(DL-alanine)zinc(II)
• Chemical name: Dichlorobis(DL-alanine)zinc(II)
• Formula: C6 H14 Cl2 N2 O4 Zn
• Calculated formula: C6 H14 Cl2 N2 O4 Zn
• SMILES: [Zn](Cl)(Cl)(OC(=O)[C@H]([NH3+])C)OC(=O)[C@H]([NH3+])C.[Zn](Cl)(Cl)(OC(=O)[C@@H]([NH3+])C)OC(=O)[C@@H]([NH3+])C
• Title of publication: Dichlorobis(<small>DL</small>-alanine)zinc(II)
• Authors of publication: M.Subha Nandhini; R.V. Krishnakumar; S.Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m127 - m129
• a: 9.996 ± 0.005 Å
• b: 13.622 ± 0.004 Å
• c: 8.616 ± 0.003 Å
• α: 90°
• β: 90.3 ± 0.01°
• γ: 90°
• Cell volume: 1173.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes