Information card for entry 1519170

Structure parameters

• Formula: C25 H18 Fe2 S5
• Calculated formula: C25 H18 Fe2 S5
• Title of publication: C25H18Fe2S5
• Authors of publication: Underhill, Allan E.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1996
• Pages of publication: 764
• a: 9.939 ± 0.002 Å
• b: 11.4042 ± 0.001 Å
• c: 12.063 ± 0.009 Å
• α: 66.46 ± 0.02°
• β: 66.861 ± 0.01°
• γ: 74.49 ± 0.02°
• Cell volume: 1142.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.0827
• Goodness-of-fit parameter for all reflections: 0.998
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No