Information card for entry 2212084

Structure parameters

• Chemical name: {2-[(3,5-Dibromo-2-oxidophenyl)methylamino]-3-phenylpropanoato-k^3^N,O,O'} (1,10-phenanthroline-k^2^N,N')zinc(II) dihydrate
• Formula: C28 H25 Br2 N3 O5 Zn
• Calculated formula: C28 H25 Br2 N3 O5 Zn
• SMILES: Brc1cc(Br)cc2C[NH]3[Zn]4(OC(=O)C3Cc3ccccc3)(Oc12)[n]1cccc2ccc3ccc[n]4c3c12.O.O
• Title of publication: [2-(3,5-Dibromo-2-oxidobenzylamino)-3-phenylpropanoato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) dihydrate
• Authors of publication: Zhang, Shu Hua; Feng, Xiao-Zhen; Li, Guang Zhao; Jing, Li Xia; Liu, Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m396 - m398
• a: 9.5929 ± 0.0011 Å
• b: 25.969 ± 0.003 Å
• c: 11.943 ± 0.0013 Å
• α: 90°
• β: 107.101 ± 0.002°
• γ: 90°
• Cell volume: 2843.7 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1604
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes