Information card for entry 7111543

Structure parameters

• Formula: C46 H78 B2 Lu N3 O4
• Calculated formula: C46 H78 B2 Lu N3 O4
• SMILES: [Lu]1234([O]5CCCC5)([O]5CCCC5)(n5c(C=[N](c6c(cccc6C(C)C)C(C)C)[BH2][H]2)ccc5CN1c1c(cccc1C(C)C)C(C)C)[H][BH]([H]3)[H]4.O1CCCC1.O1CCCC1
• Title of publication: Unusual reactivity of lanthanide borohydride complexes leading to a borane complex
• Authors of publication: Meyer, Nils; Jenter, Jelena; Roesky, Peter W.; Eickerling, Georg; Scherer, Wolfgang
• Journal of publication: Chemical Communications
• Year of publication: 2009
• Journal issue: 31
• Pages of publication: 4693 - 4695
• a: 9.5587 ± 0.0009 Å
• b: 15.1757 ± 0.0017 Å
• c: 16.103 ± 0.0019 Å
• α: 90°
• β: 100.42 ± 0.009°
• γ: 90°
• Cell volume: 2297.4 ± 0.4 ų
• Cell temperature: 6 ± 2 K
• Ambient diffraction temperature: 6 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No