Information card for entry 8101982

Structure parameters

• Chemical name: aqua-bis(acrylato-O,O')-bis(1,10-phenanthroline-N,N')zinc(II) hydrate
• Formula: C18 H18 N2 O6 Zn
• Calculated formula: C18 H18 N2 O6 Zn
• SMILES: [Zn]1(OC(=O)C=C)([OH2])(OC(=O)C=C)[n]2c3c4[n]1cccc4ccc3ccc2.O
• Title of publication: Crystal structure of aquabis(acrylato-O,O')-(1,10-phenanthroline-N, N')zinc(II) hydrate, Zn(C~3~H~3~O~2~)~2~(H~2~O)(C~12~H~10~N~2~) · H~2~O
• Authors of publication: Deng, Q.; Jiang, W.-J.; Peng, Z.-S.; Long, Y.-F.; Cai, T.-J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 287 - 288
• a: 9.2816 ± 0.0007 Å
• b: 10.5205 ± 0.0008 Å
• c: 11.0378 ± 0.0007 Å
• α: 103.144 ± 0.004°
• β: 99.428 ± 0.004°
• γ: 111.743 ± 0.003°
• Cell volume: 937.53 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No