Information card for entry 7033369

Structure parameters

• Common name: [Cu(HTyrNO2)2(H2O)].2CH3OH
• Formula: C34 H40 Cu N4 O13
• Calculated formula: C34 H40 Cu N4 O13
• SMILES: [Cu]12([NH]([C@@H](Cc3ccc(O)cc3)C(=O)O2)Cc2ccc(N(=O)=O)cc2)([NH](Cc2ccc(N(=O)=O)cc2)[C@H](C(=O)O1)Cc1ccc(O)cc1)[OH2].OC.OC
• Title of publication: Solvent effect on neutral chiral supramolecular assemblies and their distinct receptor behaviour towards anions.
• Authors of publication: Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1520 - 1525
• a: 11.8045 ± 0.0011 Å
• b: 11.4224 ± 0.001 Å
• c: 13.8492 ± 0.0012 Å
• α: 90°
• β: 99.143 ± 0.006°
• γ: 90°
• Cell volume: 1843.6 ± 0.3 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No