Information card for entry 4332468

Structure parameters

• Formula: C48 H60 F6 I6 N4 Nd O2 S2
• Calculated formula: C38 F6 I6 N5 Nd O4 S2
• Title of publication: Crystal Engineering in Ionic Liquids. The Crystal Structures of [Mppyr]3[NdI6] and [Bmpyr]4[NdI6][Tf2N]
• Authors of publication: Babai, Arash; Mudring, Anja-Verena
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 4874 - 4876
• a: 14.9585 ± 0.0006 Å
• b: 14.9585 ± 0.0006 Å
• c: 28.5391 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6385.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No