Information card for entry 1519127

Structure parameters

• Formula: C58 H38 F48 Gd4 O27
• Calculated formula: C58 H26 F48 Gd4 O27
• Title of publication: C40H18F48Gd4O26, 3(C6H6), H2O
• Authors of publication: Underhill, Allan E.; Hursthouse, Michael B.; Malik, K.M. Abdul
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1993
• Pages of publication: 1185
• a: 26.129 ± 0.009 Å
• b: 12.714 ± 0.005 Å
• c: 28.369 ± 0.007 Å
• α: 90°
• β: 116.96 ± 0.03°
• γ: 90°
• Cell volume: 8400 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.462
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No