Information card for entry 7033895

Structure parameters

• Common name: [Cu(HSerthio)2(H2O)]
• Formula: C16 H22 Cu N2 O7 S2
• Calculated formula: C16 H22 Cu N2 O7 S2
• 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: 10.635 ± 0.002 Å
• b: 7.9884 ± 0.0015 Å
• c: 23.468 ± 0.004 Å
• α: 90°
• β: 94.13 ± 0.003°
• γ: 90°
• Cell volume: 1988.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No