Information card for entry 2203679

Structure parameters

• Chemical name: Aquabis(N-benzoylalaninato-κO)(1,10-phenanthroline-κ^2^N,N')zinc(II)
• Formula: C32 H30 N4 O7 Zn
• Calculated formula: C32 H30 N4 O7 Zn
• SMILES: [Zn]1([n]2cccc3c2c2[n]1cccc2cc3)(OC(=O)[C@@H](NC(=O)c1ccccc1)C)(OC(=O)[C@@H](NC(=O)c1ccccc1)C)[OH2].[Zn]1([n]2cccc3c2c2[n]1cccc2cc3)(OC(=O)[C@H](NC(=O)c1ccccc1)C)(OC(=O)[C@H](NC(=O)c1ccccc1)C)[OH2]
• Title of publication: Aquabis(<i>N</i>-benzoylalaninato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N,N</i>')zinc(II)
• Authors of publication: Fu, Ai-Yun; Sun, Yong-Ling; Wang, Da-Qi; Zhang, Wen-Sheng; Ren, An-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m701 - m702
• a: 10.005 ± 0.015 Å
• b: 29.38 ± 0.04 Å
• c: 10.323 ± 0.016 Å
• α: 90°
• β: 111.04 ± 0.02°
• γ: 90°
• Cell volume: 2832 ± 7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes