Information card for entry 1556472

Structure parameters

• Formula: C42 H59 B2 Ce N14
• Calculated formula: C42 H59 B2 Ce N14
• SMILES: [Ce]12345([n]6n(c(cc6C)C)[BH](n6[n]1c(cc6C)C)n1[n]2c(cc1C)C)([n]1n(c(cc1C)C)[BH](n1[n]3c(cc1C)C)n1[n]4c(cc1C)C)n1[n]5c(cc1C)C.c1(ccccc1)C
• Title of publication: Synthesis and Reactivity of a Cerium(III) Scorpionate Complex Containing a Redox Non-Innocent 2,2'-Bipyridine Ligand
• Authors of publication: Ortu, F.; Zhu, H.; Boulon, M.-E.; Mills, D.P.
• Journal of publication: Inorganics
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 534 - 553
• a: 11.1262 ± 0.0009 Å
• b: 14.692 ± 0.0014 Å
• c: 14.7874 ± 0.0014 Å
• α: 70.037 ± 0.009°
• β: 85.302 ± 0.008°
• γ: 81.302 ± 0.007°
• Cell volume: 2244.7 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No