Information card for entry 7033368

Structure parameters

• Common name: [Cu(HTyrNO2)2(H2O)].2DMSO
• Formula: C36 H44 Cu N4 O13 S2
• Calculated formula: C36 H44 Cu N4 O13 S2
• SMILES: c1(ccc(cc1)O)C[C@H]1C(=O)O[Cu]2([NH](Cc3ccc(cc3)N(=O)=O)[C@H](C(=O)O2)Cc2ccc(cc2)O)([OH2])[NH]1Cc1ccc(N(=O)=O)cc1.O=S(C)C.O=S(C)C
• 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: 11.9587 ± 0.0007 Å
• b: 7.994 ± 0.0005 Å
• c: 21.4277 ± 0.0011 Å
• α: 90°
• β: 96.212 ± 0.003°
• γ: 90°
• Cell volume: 2036.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No