Information card for entry 4116683

Structure parameters

• Formula: C13 H21 Al N2 O5 W
• Calculated formula: C13 H21 Al N2 O5 W
• SMILES: [Al]1([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])([N](CC[N]1(C)C)(C)C)CC
• Title of publication: Transition Metal Coordinated Al(X)L2 and Ga(X)L2 Fragments
• Authors of publication: Roland A. Fischer; Markus M. Schulte; Jurij Weiss; Laszlo Zsolnai; Albrecht Jacobi; Gottfried Huttner; Gernot Frenking; Christian Boehme; Sergei F. Vyboishchikov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 1237 - 1248
• a: 8.606 ± 0.002 Å
• b: 16.463 ± 0.006 Å
• c: 12.469 ± 0.004 Å
• α: 90°
• β: 93.88 ± 0.02°
• γ: 90°
• Cell volume: 1762.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for all reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.0593
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No