Information card for entry 7037317

Structure parameters

• Common name: bth2NAlMe2
• Chemical name: [Me2Al{(NCSC6H4)2N}]
• Formula: C16 H14 Al N3 S2
• Calculated formula: C16 H14 Al N3 S2
• Title of publication: Bis-(benzothiazol-2-yl)-amines and their metal amides: a structural comparison in the solid state.
• Authors of publication: Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6136 - 6148
• a: 8.678 ± 0.002 Å
• b: 14.569 ± 0.003 Å
• c: 14.732 ± 0.003 Å
• α: 63.9 ± 0.02°
• β: 88.93 ± 0.03°
• γ: 74.02 ± 0.02°
• Cell volume: 1596.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No