Information card for entry 7051802

Structure parameters

• Formula: C50 H42 Cd2 Cl4 N10 O20 S4
• Calculated formula: C46 H34 Cd2 Cl4 N10 O18 S4
• Title of publication: Synthesis and X-ray structures of cadmium-containing dinuclear double helicates derived from ligands containing N-oxide units
• Authors of publication: Bokolinis, Georgios; Riis-Johannessen, T.; Jeffery, John C.; Rice, Craig R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 115
• a: 23.568 ± 0.004 Å
• b: 12.894 ± 0.002 Å
• c: 21.345 ± 0.004 Å
• α: 90°
• β: 110.065 ± 0.004°
• γ: 90°
• Cell volume: 6092.7 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No