Information card for entry 7715294

Structure parameters

• Formula: C48 H46 Rh2
• Calculated formula: C48 H46 Rh2
• SMILES: [Rh]1234567([c]89%10[c]%11([Rh]%12%13%14%15%168([c]4%10([c]3([cH]2[c]19c1ccccc1)c1ccccc1)[c]%12([cH]%11%13)c1ccccc1)[CH]1=[CH]%14CC[CH]%15=[CH]%16CC1)c1ccccc1)[CH]1=[CH]5CC[CH]6=[CH]7CC1
• Title of publication: Twinned <i>versus</i> linked organometallics - bimetallic "half-baguette" pentalenide complexes of Rh(I).
• Authors of publication: Sanderson, Hugh J.; Kociok-Köhn, Gabriele; McMullin, Claire L.; Hintermair, Ulrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 5881 - 5899
• a: 11.0316 ± 0.0002 Å
• b: 20.0004 ± 0.0003 Å
• c: 16.3232 ± 0.0003 Å
• α: 90°
• β: 96.9761 ± 0.0019°
• γ: 90°
• Cell volume: 3574.83 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0363
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No