Information card for entry 1512931

Structure parameters

• Formula: C16 H32 Br3 Nd O4
• Calculated formula: C16 H32 Br3 Nd O4
• SMILES: [Nd](Br)(Br)(Br)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Structural characterization of methanol substituted lanthanum halides
• Authors of publication: Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre
• Journal of publication: Polyhedron
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1784 - 1795
• a: 8.2662 ± 0.0013 Å
• b: 9.3601 ± 0.0015 Å
• c: 15.485 ± 0.002 Å
• α: 79.185 ± 0.002°
• β: 87.106 ± 0.002°
• γ: 74.956 ± 0.002°
• Cell volume: 1136.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No