Information card for entry 1517865

Structure parameters

• Formula: C13 H36 Mo2 N2 Na2 O14 S2
• Calculated formula: C13 Mo2 N2 Na2 O14 S2
• SMILES: C1(C)(C)[C@H]2C(=O)O[Mo]([NH2]2)([OH2])(=O)(S1)O[Mo]12([NH2][C@@H](C(C)(S2)C)C(=O)O1)=O.O.CO.[Na+].CO.[Na+].O.CO.O.C1(C)(C)[C@@H]2C(=O)O[Mo]([NH2]2)([OH2])(=O)(S1)O[Mo]12([NH2][C@H](C(C)(S2)C)C(=O)O1)=O.O.CO.[Na+].CO.[Na+].O.CO.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: 9.962 ± 0.004 Å
• b: 12.222 ± 0.007 Å
• c: 13.953 ± 0.007 Å
• α: 114.27 ± 0.04°
• β: 104.55 ± 0.04°
• γ: 95.63 ± 0.04°
• Cell volume: 1459.5 ± 1.5 ų
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No