Information card for entry 4304382

Structure parameters

• Common name: [Cydo*HCl]*H2O
• Formula: C32 H60 Cl2 N2 O6 S2
• Calculated formula: C32 H60 Cl2 N2 O6 S2
• Title of publication: Counterions Influence Reactivity of Metal Ions with Cysteinyldopa Model Compounds
• Authors of publication: Yohannes T. Tesema; David M. Pham; Katherine J. Franz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1087 - 1095
• a: 6.0792 ± 0.0008 Å
• b: 18.23 ± 0.002 Å
• c: 18.637 ± 0.003 Å
• α: 106.234 ± 0.003°
• β: 95.31 ± 0.003°
• γ: 91.169 ± 0.003°
• Cell volume: 1972.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1621
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No