Information card for entry 4350430

Structure parameters

• Chemical name: '((1,3-bis-(2',4',6'-triisopropylbiphenyl-2)) (triazenido-N,N'))cesium'
• Formula: C42 H54 Cs N3
• Calculated formula: C42 H54 Cs N3
• SMILES: [Cs+].[N-](N=Nc1c(cccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Inverse aggregation behavior of alkali-metal triazenides.
• Authors of publication: Lee, Hyui Sul; Niemeyer, Mark
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6126 - 6128
• a: 9.538 ± 0.003 Å
• b: 13.232 ± 0.004 Å
• c: 16.727 ± 0.004 Å
• α: 100.37 ± 0.02°
• β: 106.21 ± 0.02°
• γ: 101.89 ± 0.02°
• Cell volume: 1919.2 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1128
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No