Information card for entry 7202822

Structure parameters

• Common name: Dr. S. G. Carling/Dr. L. Martin
• Formula: C138 H120 Fe8 Na18 O120 S72
• Calculated formula: C138 H120 Fe8 Na18 O120 S72
• Title of publication: Multi-layered molecular charge-transfer salts containing alkali metal ions
• Authors of publication: Martin, Lee; Day, Peter; Clegg, William; Harrington, Ross W.; Horton, Peter N.; Bingham, Ann; Hursthouse, Michael B.; McMillan, Paul; Firth, Steven
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 31
• Pages of publication: 3324
• a: 12.6196 ± 0.0018 Å
• b: 17.378 ± 0.002 Å
• c: 26.551 ± 0.004 Å
• α: 90.019 ± 0.01°
• β: 98.764 ± 0.011°
• γ: 92.938 ± 0.01°
• Cell volume: 5747 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.2117
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No