Information card for entry 7705990

Structure parameters

• Formula: C40 H66 N2 P2 Rh2 Si4
• Calculated formula: C40 H66 N2 P2 Rh2 Si4
• SMILES: [Rh]1234([P]5(c6ccccc6)C[Si]([N]6[Rh]789%10([P](C[Si]([N]1[Si](C5)(C)C)(C)C)(c1ccccc1)C[Si]67(C)C)[CH]1=[CH]8CC[CH]9=[CH]%10CC1)(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Forays into rhodium macrocyclic chemistry stabilized by a P₂N₂ donor set. Activation of dihydrogen and benzene.
• Authors of publication: Yeo, Alyssa; Sanz, Corey A.; Fryzuk, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 899 - 907
• a: 10.3474 ± 0.0006 Å
• b: 16.4155 ± 0.0012 Å
• c: 25.8521 ± 0.0018 Å
• α: 90°
• β: 100.362 ± 0.002°
• γ: 90°
• Cell volume: 4319.6 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90.15 K
• Number of distinct elements: 6
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No