Information card for entry 4311504

Structure parameters

• Formula: C24 H48 I5 Nd O6 Zn
• Calculated formula: C24 H48 I5 Nd O6 Zn
• SMILES: [Nd](I)(I)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Zn](I)(I)(I)[O]1CCCC1
• Title of publication: Heterometallic Lanthanide Group 12 Metal Iodides
• Authors of publication: Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5659 - 5664
• a: 8.5245 ± 0.0007 Å
• b: 9.0424 ± 0.0007 Å
• c: 24.515 ± 0.002 Å
• α: 90°
• β: 96.641 ± 0.001°
• γ: 90°
• Cell volume: 1877 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No