Information card for entry 7034275

Structure parameters

• Chemical name: catena-{bis[μ~2~-N-(L-leucine methyl ester)-N'-(pyridin-3-ylmethyl)oxalamide]-dichloro-copper(II)}
• Formula: C30 H42 Cl2 Cu N6 O8
• Calculated formula: C30 H42 Cl2 Cu N6 O8
• SMILES: [Cu](Cl)(Cl)([n]1cccc(c1)CNC(=O)C(=O)N[C@H](C(=O)OC)CC(C)C)[n]1cccc(c1)CNC(=O)C(=O)N[C@H](C(=O)OC)CC(C)C
• Title of publication: Cu(ii)-specific metallogel formation by an amido-anthraquinone-pyridyloxalamide ligand in DMSO-water.
• Authors of publication: Cametti, Massimo; Cetina, Mario; Džolić, Zoran
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7223 - 7229
• a: 16.8441 ± 0.0007 Å
• b: 7.0162 ± 0.0003 Å
• c: 31.0687 ± 0.0011 Å
• α: 90°
• β: 95.858 ± 0.004°
• γ: 90°
• Cell volume: 3652.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No