Information card for entry 7033894

Structure parameters

• Common name: [Cu(HTyr-4pyr)2(H2O)].2H2O
• Formula: C30 H36 Cu N4 O9
• Calculated formula: C30 H36 Cu N4 O9
• Title of publication: Controlling the self-assembly of homochiral coordination architectures of Cu(II) by substitution in amino acid based ligands: synthesis, crystal structures and physicochemical properties.
• 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: 12
• Pages of publication: 5672 - 5687
• a: 12.0163 ± 0.0008 Å
• b: 7.738 ± 0.0005 Å
• c: 17.1859 ± 0.0014 Å
• α: 90°
• β: 107.324 ± 0.002°
• γ: 90°
• Cell volume: 1525.49 ± 0.19 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No