Information card for entry 4312750

Structure parameters

• Formula: C51 H72 F9 N8 Nd O17 S3
• Calculated formula: C51 H72 F9 N8 Nd O17 S3
• Title of publication: Structural Analysis of Nine-Coordinate Lanthanide Complexes: Steric Control of the Metal-Water Distance Across the Series
• Authors of publication: David Parker; Horst Puschmann; Andrei S. Batsanov; Kanthi Senanayake
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8646 - 8651
• a: 14.757 ± 0.003 Å
• b: 11.587 ± 0.003 Å
• c: 19.305 ± 0.005 Å
• α: 90°
• β: 101.55 ± 0.01°
• γ: 90°
• Cell volume: 3234.1 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No