Information card for entry 7205895

Structure parameters

• Formula: C23 H26 N2 Ni O7
• Calculated formula: C23 H26 N2 Ni O7
• SMILES: [Ni]12(Oc3ccc4ccccc4c3C=[N]2[C@H](C(=O)O1)Cc1c[nH]c2c1cccc2)([OH]C)([OH2])[OH2].O
• Title of publication: Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives
• Authors of publication: New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 4228
• a: 7.0688 ± 0.0011 Å
• b: 7.4648 ± 0.0012 Å
• c: 21.049 ± 0.004 Å
• α: 90°
• β: 96.734 ± 0.004°
• γ: 90°
• Cell volume: 1103 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No