Information card for entry 1512927

Structure parameters

• Formula: C5 H15 Br3 La O5
• Calculated formula: C5 H15 Br3 La O5
• SMILES: [La](Br)(Br)(Br)([OH]C)([OH]C)([OH]C)([OH]C)[OH]C
• 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: 12.3556 ± 0.0014 Å
• b: 9.9655 ± 0.0011 Å
• c: 12.5633 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1546.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No