Information card for entry 1517862

Structure parameters

• Formula: C22 H56 N6 Ni4 O18 S6 Tl2
• Calculated formula: C22 N6 Ni4 O18 S6 Tl2
• SMILES: [Tl+].[Tl+].[Ni]([OH2])([OH2])([OH2])([OH2])(N=C=S)N=C=S.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Ni]12([NH2][C@H](C(S1)(C)C)C(=O)[O-])SC(C)(C)[C@H]([NH2]2)C(=O)[O-].[Ni]12([NH2][C@@H](C(S1)(C)C)C(=O)[O-])SC(C)(C)[C@@H]([NH2]2)C(=O)[O-]
• Title of publication: Penicillamine complexes of nickel, chromium, and molybdenum - structural particularity and biological/medical relevance
• Authors of publication: Muller, A.; Johannes, K. U.; Straube, M.; Krickemeyer, R.; Bogge, H.
• Journal of publication: Zeitschrift fuer Anorganische und Allgemeine Chemie
• Year of publication: 1993
• Journal volume: 619
• Pages of publication: 1037 - 1046
• a: 14.846 ± 0.004 Å
• b: 13.587 ± 0.004 Å
• c: 12.047 ± 0.003 Å
• α: 90°
• β: 103.75 ± 0.02°
• γ: 90°
• Cell volume: 2360.4 ± 1.1 ų
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No