Information card for entry 2228894

Structure parameters

• Chemical name: [Malonato(2-)-κ^2^<i>O</i>,<i>O</i>']bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')zinc(II) pentahydrate
• Formula: C27 H28 N4 O9 Zn
• Calculated formula: C27 H28 N4 O9 Zn
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Zn]124([n]3cccc4ccc5ccc[n]1c5c34)OC(=O)CC(=O)O2.O.O.O.O.O
• Title of publication: [Malonato(2{-})-κ^2^<i>O</i>,<i>O</i>']bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) pentahydrate
• Authors of publication: Chen, Yan-Min; Xie, Qing-Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m66 - m67
• a: 10.3802 ± 0.0015 Å
• b: 10.58 ± 0.003 Å
• c: 13.059 ± 0.002 Å
• α: 84.682 ± 0.002°
• β: 76.965 ± 0.003°
• γ: 72.834 ± 0.002°
• Cell volume: 1334.5 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes