Information card for entry 4340666

Structure parameters

• Formula: C33 H48 B F4 P2 Rh
• Calculated formula: C33 H48 B F4 P2 Rh
• SMILES: [Rh]1234([P](c5c(CCc6c([P]1(C(C)C)C(C)C)cccc6)cccc5)(C(C)C)C(C)C)[CH]1=[CH]2C2[CH]3=[CH]4C1C2.[B](F)(F)(F)[F-]
• Title of publication: Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.
• Authors of publication: Comanescu, Cezar C.; Iluc, Vlad M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8517 - 8528
• a: 17.0147 ± 0.0014 Å
• b: 17.9627 ± 0.0015 Å
• c: 20.3387 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6216.1 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No