Information card for entry 4060525

Structure parameters

• Formula: C59 H108 Ce2 I2 N8 Si4
• Calculated formula: C38 H84 Ce2 I2 N8 Si4
• SMILES: C12N(CCN(C(C)(C)C)[Ce]3=2(N([Si](C)(C)C)[Si](C)(C)C)[I][Ce]2(=C4N(C=CN4C(C)(C)C)CCN2C(C)(C)C)([I]3)N([Si](C)(C)C)[Si](C)(C)C)C=CN1C(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: 24.287 ± 0.004 Å
• b: 21.23 ± 0.004 Å
• c: 14.748 ± 0.002 Å
• α: 90°
• β: 104.499 ± 0.004°
• γ: 90°
• Cell volume: 7362 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No