Information card for entry 4310330

Structure parameters

• Formula: C28 H56 I6 Nd2 O7
• Calculated formula: C28 H56 I6 Nd2 O7
• SMILES: C1CCC[O]1[Nd](I)(I)(I)(I)[O]1CCCC1.C1CCC[O]1[Nd]([O]1CCCC1)([O]1CCCC1)(I)(I)([O]1CCCC1)[O]1CCCC1
• Title of publication: A Convenient Route to Lanthanide Triiodide THF Solvates. Crystal Structures of LnI3(THF)4 [Ln = Pr] and LnI3(THF)3.5 [Ln = Nd, Gd, Y]
• Authors of publication: Keith Izod; Stephen T. Liddle; William Clegg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 214 - 218
• a: 12.8595 ± 0.001 Å
• b: 12.1213 ± 0.0009 Å
• c: 28.828 ± 0.002 Å
• α: 90°
• β: 98.392 ± 0.002°
• γ: 90°
• Cell volume: 4445.4 ± 0.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No