Information card for entry 7111135

Structure parameters

• Formula: C26 H62 N8 Na2
• Calculated formula: C34 H62 N8 Na2
• SMILES: [Na]123([N](C)(C)CC[N]1(C)CC[N]2(C)C)[NH](C(=C)c1ccccc1)[Na]12([N](C)(C)CC[N]1(C)CC[N]2(C)C)[NH]3C(=C)c1ccccc1
• Title of publication: Crystal structures of (R,R)-{[Ph(Me)CH]2NLi·pmdeta} and {[PhC(CH2)NH]Na·pmdeta}2: alkali metal amides derived from (R,R)-bis(α-methylbenzyl)amine
• Authors of publication: Andrews, Philip C.; Duggan, Peter J.; Maguire, Melissa; Nichols, Peter J.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 53
• a: 9.8409 ± 0.0002 Å
• b: 9.9864 ± 0.0003 Å
• c: 10.7169 ± 0.0002 Å
• α: 94.128 ± 0.001°
• β: 114.261 ± 0.002°
• γ: 98.962 ± 0.001°
• Cell volume: 937.59 ± 0.04 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections: 2.04
• Goodness-of-fit parameter for all reflections included in the refinement: 2.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No