Information card for entry 4116681

Structure parameters

• Formula: C11 H16 Cl Cr Ga N2 O5
• Calculated formula: C11 H16 Cl Cr Ga N2 O5
• SMILES: [Cr]([Ga]1(Cl)[N](CC[N]1(C)C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• 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: 9.059 ± 0.004 Å
• b: 16.084 ± 0.007 Å
• c: 11.835 ± 0.006 Å
• α: 90°
• β: 80.61 ± 0.03°
• γ: 90°
• Cell volume: 1701.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections: 0.1176
• Weighted residual factors for significantly intense reflections: 0.1113
• Goodness-of-fit parameter for all reflections: 1.242
• Goodness-of-fit parameter for significantly intense reflections: 1.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No