Information card for entry 7205894

Structure parameters

• Formula: C44 H40 Cu2 N4 O10
• Calculated formula: C44 H40 Cu2 N4 O10
• SMILES: [Cu]12(Oc3ccc4ccccc4c3C=[N]2[C@H](C(=O)O1)Cc1c[nH]c2c1cccc2)[O]=C1O[Cu]2([N](=Cc3c(O2)ccc2ccccc32)[C@H]1Cc1c[nH]c2c1cccc2)([OH2])[OH2].O.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: 6.0496 ± 0.0013 Å
• b: 8.1335 ± 0.0017 Å
• c: 19.475 ± 0.004 Å
• α: 84.322 ± 0.005°
• β: 81.261 ± 0.004°
• γ: 89.672 ± 0.005°
• Cell volume: 942.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No