Information card for entry 7119216

Structure parameters

• Formula: C32 H80 N6 Na2 Si4
• Calculated formula: C32 H80 N6 Na2 Si4
• SMILES: [C@@H]1([C@@H](CCCC1)N(C)C)[N](C)(C)[Na]1[N]([Si](C)(C)C)([Si](C)(C)C)[Na]2([N](C)([C@H]3[C@H]([N]2(C)C)CCCC3)C)[N]1([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Monodentate coordination of the normally chelating chiral diamine (R,R)-TMCDA.
• Authors of publication: Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Armstrong, David R.; O'Hara, Charles T
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 324 - 327
• a: 11.6278 ± 0.0004 Å
• b: 11.867 ± 0.0005 Å
• c: 32.841 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4531.6 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No