Information card for entry 7012624

Structure parameters

• Formula: C33.68 H42.22 N6 O13.43 S2 V2
• Calculated formula: C33.69 H34 N6 O13.44 S2 V2
• Title of publication: Mimicking the oxidized glutathione-VIVO2+ speciesAbbreviations used: bipy, 2,2'-bipyridine; phen, 1,10-phenanthroline; H3mpg, N-(2-mercaptopropionyl)glycine; H2mpgS‒S2‒, the oxidized-S,S dimer of H3mpg (see Scheme 1).
• Authors of publication: Tolis, Evangelos J.; Manos, Manolis J.; Terzis, Aris; Raptopoulou, Catherine P.; Kabanos, Themistoklis A.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 775
• a: 13.974 ± 0.004 Å
• b: 12.581 ± 0.003 Å
• c: 15.157 ± 0.004 Å
• α: 110.694 ± 0.008°
• β: 92.144 ± 0.009°
• γ: 116.05 ± 0.008°
• Cell volume: 2179.9 ± 1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections: 0.266
• Weighted residual factors for significantly intense reflections: 0.2352
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for significantly intense reflections: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No