Information card for entry 4060522

Structure parameters

• Formula: C41.5 H88 Br2 Ce2 N8 Si4
• Calculated formula: C38 H84 Br2 Ce2 N8 Si4
• SMILES: C12N(CCN(C(C)(C)C)[Ce]3=1(N([Si](C)(C)C)[Si](C)(C)C)[Br][Ce]1(=C4N(C=CN4C(C)(C)C)CCN1C(C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[Br]3)C=CN2C(C)(C)C
• Title of publication: Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes
• Authors of publication: Liddle, Stephen T.; Arnold, Polly L.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 2597 - 2605
• a: 11.036 ± 0.0006 Å
• b: 12.3745 ± 0.0007 Å
• c: 13.04 ± 0.0007 Å
• α: 67.205 ± 0.002°
• β: 69.663 ± 0.002°
• γ: 84.149 ± 0.002°
• Cell volume: 1538.28 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No