Information card for entry 1512932

Structure parameters

• Formula: C20 H20 Br3 N4 Nd
• Calculated formula: C20 H20 Br3 N4 Nd
• SMILES: [Nd](Br)(Br)(Br)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• 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: 16.998 ± 0.002 Å
• b: 17.515 ± 0.002 Å
• c: 32.617 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9711 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No