Information card for entry 7712131

Structure parameters

• Formula: C51 H41 N2 P2 Rh
• Calculated formula: C51 H41 N2 P2 Rh
• SMILES: [Rh]12([P](c3ccccc3)(c3ccccc3)CN3C=2N(c2c4c3cccc4ccc2)C[P]1(c1ccccc1)c1ccccc1)C#Cc1ccccc1.c1ccccc1
• Title of publication: C-H activation in bimetallic rhodium complexes to afford N-heterocyclic carbene pincer complexes.
• Authors of publication: Watson, Lachlan J.; Hill, Anthony F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 2164 - 2174
• a: 9.8173 ± 0.0001 Å
• b: 25.6987 ± 0.0003 Å
• c: 16.1102 ± 0.0002 Å
• α: 90°
• β: 97.022 ± 0.001°
• γ: 90°
• Cell volume: 4033.99 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0395
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No