Information card for entry 7719803

Structure parameters

• Formula: C16 H21 N3 O8 S2
• Calculated formula: C16 H21 N3 O8 S2
• Title of publication: Metallocarbonyl bromomaleimide derivatives for thiol bioconjugation and disulfide bridging: spectroscopic and biological properties.
• Authors of publication: Koprowska, Karolina; Fischer-Durand, Nathalie; Michlewska, Sylwia; Gapińska, Magdalena; Grodzicka, Marika; Makal, Anna; Krzeszczakowska, Joanna; Wrona-Piotrowicz, Anna; Lignières, Laurent; Salmain, Michèle; Rudolf, Bogna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 45
• Pages of publication: 16864 - 16875
• a: 8.0312 ± 0.0002 Å
• b: 9.4299 ± 0.0002 Å
• c: 26.2039 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1984.51 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No