Information card for entry 7001731

Structure parameters

• Formula: C23 H51 Al3 N3 Sm
• Calculated formula: C23 H51 Al3 N3 Sm
• SMILES: [Sm]12345([CH3][Al](C)(C)[CH2]5[Al](C)(C)[CH2]1[Al](C)(C)[CH3]2)[N]1(C[N]3(C[N]4(C1)C)C)C.c1(ccccc1)C
• Title of publication: Neutral ligand induced methane elimination from rare-earth metal tetramethylaluminates up to the six-coordinate carbide state
• Authors of publication: Venugopal, Ajay; Kamps, Ina; Bojer, Daniel; Berger, Raphael J. F.; Mix, Andreas; Willner, Alexander; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 29
• Pages of publication: 5755
• a: 35.417 ± 0.004 Å
• b: 17.3343 ± 0.0019 Å
• c: 10.1016 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6201.7 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No