Information card for entry 7201864

Structure parameters

• Common name: Tris(aqua-ethanol-di(mu4-terephthaloyl-bis(L- phenylalaninato))dicopper(ii)) hydrate
• Chemical name: Tris[aqua-ethanol-di(μ4-terephthaloyl- bis(L-phenylalaninato))dicopper(II)] hydrate
• Formula: C163 H156 Cu6 N12 O70
• Calculated formula: C162.99 H156 Cu6 N12 O70.03
• Title of publication: A chiral C3-symmetric hexanuclear triangular-prismatic copper(ii) cluster derived from a highly modular dipeptidic N,N′-terephthaloyl-bis(S-aminocarboxylato) ligand
• Authors of publication: Wisser, Barbara; Chamayou, Anne-Christine; Miller, Robert; Scherer, Wolfgang; Janiak, Christoph
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 461
• a: 39.7978 ± 0.0003 Å
• b: 39.7978 ± 0.0003 Å
• c: 10.1735 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13954.7 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No