Information card for entry 4109360

Structure parameters

• Formula: C52 H94 Ga N6 Nd O Si3
• Calculated formula: C52 H94 Ga N6 Nd O Si3
• SMILES: [Nd]1(N(CCN2C=1N(C=C2[Si](C)(C)C)C(C)(C)C)C(C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)([Ga]1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1
• Title of publication: A Lanthanide-Gallium Complex Stabilized by the N-Heterocyclic Carbene Group
• Authors of publication: Polly L. Arnold; Stephen T. Liddle; Jonathan McMaster; Cameron Jones; David P. Mills
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5360 - 5361
• a: 14.0875 ± 0.0005 Å
• b: 19.1557 ± 0.0006 Å
• c: 22.0078 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5938.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No