Information card for entry 7119215

Structure parameters

• Formula: C22 H58 N4 Na2 Si4
• Calculated formula: C22 H58 N4 Na2 Si4
• SMILES: [C@@H]12CCCC[C@H]1[N](C)(C)[Na]1([N]2(C)C)[N]([Na][N]1([Si](C)(C)C)[Si](C)(C)C)([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: 16.9445 ± 0.0002 Å
• b: 37.8065 ± 0.0003 Å
• c: 17.8856 ± 0.0002 Å
• α: 90°
• β: 116.408 ± 0.002°
• γ: 90°
• Cell volume: 10262.1 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No