Information card for entry 7036927

Structure parameters

• Formula: C30 H54 B2 P2 Rh2
• Calculated formula: C30 H54 B2 P2 Rh2
• SMILES: [CH]12C3[CH]4=[CH]5[Rh]67134([CH2]=[CH2]6)[P](C(C)(C)C)(C(C)(C)C)B1[CH]3=[CH]4C6[CH]8=[CH]1[Rh]13468([CH2]=[CH2]1)[P](B5[CH]=27)(C(C)(C)C)C(C)(C)C
• Title of publication: Phosphidoboratabenzene-rhodium(i) complexes as precatalysts for the hydrogenation of alkenes at room temperature and atmospheric pressure.
• Authors of publication: Perez, Viridiana; Audet, Pierre; Bi, Wenhua; Fontaine, Frédéric-Georges
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2130 - 2137
• a: 8.3211 ± 0.0008 Å
• b: 19.9816 ± 0.0019 Å
• c: 9.8002 ± 0.001 Å
• α: 90°
• β: 110.351 ± 0.0014°
• γ: 90°
• Cell volume: 1527.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0849
• 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