Information card for entry 4344460

Structure parameters

• Formula: C14 H21 Ce I3 N7
• Calculated formula: C14 H21 Ce I3 N7
• SMILES: [Ce](I)(I)(I)([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.N#CC.C(#N)C
• 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: 9.1581 ± 0.0007 Å
• b: 12.9344 ± 0.001 Å
• c: 22.1512 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2623.9 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.351
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No