Information card for entry 7719802

Structure parameters

• Formula: C207 H216 N6 O120 S12
• Calculated formula: C198 H195 N6 O120 S12
• 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: 26.8895 ± 0.0002 Å
• b: 14.89266 ± 0.00013 Å
• c: 31.0943 ± 0.0003 Å
• α: 90°
• β: 94.1682 ± 0.0008°
• γ: 90°
• Cell volume: 12419 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.239
• Weighted residual factors for all reflections included in the refinement: 0.2759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No