Information card for entry 8103132

Structure parameters

• Chemical name: bis(1,10-phenanthroline-κ^2^N,N') (malonato-κ^2^O^1^,O^3^)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: Crystal structure of bis(1,10-phenanthroline-?2N,N')-(malonato-?2O1,O3)zinc(II) pentahydrate, Zn(C12H8N2)2(C3H2O4) · 5H2O
• Authors of publication: Xue Nie; Jing-Nian Qu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 343
• 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: No