Information card for entry 7102348

Structure parameters

• Formula: C74 H116 B2 Ce N8 O4
• Calculated formula: C74 H116 B2 Ce N8 O4
• SMILES: [Ce]12(=C3N(C=CN3C(C)C)CC(C)(C)O1)(=C1N(C=CN1C(C)C)CC(C)(C)O2)(OC(CN1C(N(C(C)C)C=C1)=[BH]1C2CCCC1CCC2)(C)C)OC(CN1C(N(C(C)C)C=C1)=[BH]1C2CCCC1CCC2)(C)C.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Tetravalent cerium carbene complexes.
• Authors of publication: Casely, Ian J; Liddle, Stephen T; Blake, Alexander J; Wilson, Claire; Arnold, Polly L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 47
• Pages of publication: 5037 - 5039
• a: 13.6344 ± 0.0005 Å
• b: 15.6439 ± 0.0006 Å
• c: 19.9007 ± 0.0007 Å
• α: 78.468 ± 0.002°
• β: 74.11 ± 0.002°
• γ: 66.66 ± 0.002°
• Cell volume: 3728.3 ± 0.2 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: 0.0349
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No