Information card for entry 7037319

Structure parameters

• Common name: OMebth2NAlMe2_AlMe3
• Chemical name: [Me2Al{(4-OMe-NCSC6H3)2N}AlMe3]
• Formula: C23.92 H30.33 Al2 N3 O2 S2
• Calculated formula: C23.919 H30.336 Al2 N3 O2 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: 11.136 ± 0.002 Å
• b: 17.335 ± 0.003 Å
• c: 14.122 ± 0.002 Å
• α: 90°
• β: 95.96 ± 0.02°
• γ: 90°
• Cell volume: 2711.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No