Information card for entry 1545282

Structure parameters

• Common name: [(PNP)RhCF][CHB11Cl11]
• Chemical name: [(PNP)RhCF][CHB11Cl11]
• Formula: C28 H41 B11 Cl11 F N P2 Rh
• Calculated formula: C28 H41 B11 Cl11 F N P2 Rh
• SMILES: [Rh]12([P](c3c(N2c2ccc(cc2[P]1(C(C)C)C(C)C)C)ccc(c3)C)(C(C)C)C(C)C)#CF.[B]1234([B]567([B]89%10([B]%11%12%13([B]%141([B]1%152([B]235([B]368([B]59%11([B]%12%141([B]%15235Cl)Cl)Cl)Cl)Cl)Cl)(Cl)[CH]47%10%13)Cl)Cl)Cl)Cl
• Title of publication: Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh
• Authors of publication: Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 3178
• a: 20.427 ± 0.005 Å
• b: 19.756 ± 0.005 Å
• c: 11.606 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4684 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No