Information card for entry 4315093

Structure parameters

• Formula: C55 H82 Gd N3 O2
• Calculated formula: C55 H82 Gd N3 O2
• SMILES: [Gd]12345678(N=C9N(C=CN9c9c(cccc9C(C)C)C(C)C)c9c(cccc9C(C)C)C(C)C)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)[O]1CCCC1.O1CCCC1
• Title of publication: Rare-Earth Metal Alkyl, Amido, and Cyclopentadienyl Complexes Supported by Imidazolin-2-iminato Ligands: Synthesis, Structural Characterization, and Catalytic Application
• Authors of publication: Alexandra G. Trambitas; Tarun K. Panda; Jelena Jenter; Peter W. Roesky; Constantin Daniliuc; Cristian G. Hrib; Peter G. Jones; Matthias Tamm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2435 - 2446
• a: 11.1505 ± 0.0006 Å
• b: 12.2155 ± 0.0006 Å
• c: 19.0791 ± 0.001 Å
• α: 90°
• β: 105.752 ± 0.002°
• γ: 90°
• Cell volume: 2501.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No