Information card for entry 7110454

Structure parameters

• Formula: C53 H39 Cr N O13 S32
• Calculated formula: C53 H36 Cr N O13 S32
• Title of publication: Polymorphism based on molecular stereoisomerism in tris(oxalato) Cr(III) salts of bedt-ttf [bis(ethylenedithio)tetrathiafulvalene]
• Authors of publication: Martin, Lee; Turner, Scott S.; Day, Peter; Abdul Malik, K. M.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 6
• Pages of publication: 513
• a: 10.371 ± 0.002 Å
• b: 19.518 ± 0.003 Å
• c: 35.646 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7215.5 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1764
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections: 0.1243
• Weighted residual factors for significantly intense reflections: 0.1033
• Goodness-of-fit parameter for all reflections: 0.731
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No