Information card for entry 7006177

Structure parameters

• Formula: C16 H36 Al2 Nd P
• Calculated formula: C16 H36 Al2 Nd P
• SMILES: [Nd]123456(P7[C]3(=[C]4([C]5(=[C]67C)C)C)C)([H][CH2][Al]([CH2][H]1)(C)C)[H][CH2][Al]([CH2][H]2)(C)C
• Title of publication: Mono-phosphacyclopentadienyl bis(tetramethylaluminate) lanthanide complexes.
• Authors of publication: Le Roux, Erwan; Nief, François; Jaroschik, Florian; Törnroos, Karl W; Anwander, Reiner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 42
• Pages of publication: 4866 - 4870
• a: 14.7933 ± 0.0018 Å
• b: 16.262 ± 0.002 Å
• c: 18.559 ± 0.002 Å
• α: 90°
• β: 103.493 ± 0.002°
• γ: 90°
• Cell volume: 4341.5 ± 0.9 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No