Information card for entry 4344461

Structure parameters

• Formula: C44 H66 I12 N22 Nd4
• Calculated formula: C38 H57 I12 N19 Nd4
• Title of publication: Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.
• Authors of publication: Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 11958 - 11968
• a: 17.9128 ± 0.0014 Å
• b: 23.5137 ± 0.0019 Å
• c: 20.9519 ± 0.0017 Å
• α: 90°
• β: 91.451 ± 0.002°
• γ: 90°
• Cell volume: 8822 ± 1.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.623
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No