Information card for entry 4316027

Structure parameters

• Formula: C66 H57 Cl7 F6 N3 P5 Rh
• Calculated formula: C66 H57 Cl7 F6 N3 P5 Rh
• SMILES: [Rh]123(Cl)[P](c4ccccc4)(c4ccccc4)n4c([P]3(c3c(c5ccccc5n3[P]1(c1ccccc1)c1ccccc1)C)c1c(c3ccccc3n1[P]2(c1ccccc1)c1ccccc1)C)c(c1ccccc41)C.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Versatile New C3-Symmetric Tripodal Tetraphosphine Ligands; Structural Flexibility to Stabilize CuI and RhI Species and Tune Their Reactivity
• Authors of publication: Jeroen Wassenaar; Maxime A. Siegler; Anthony L. Spek; Bas de Bruin; Joost N. H. Reek; Jarl Ivar van der Vlugt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6495 - 6508
• a: 13.211 ± 0.0006 Å
• b: 15.3608 ± 0.0008 Å
• c: 17.6791 ± 0.001 Å
• α: 93.963 ± 0.002°
• β: 110.874 ± 0.002°
• γ: 101.654 ± 0.003°
• Cell volume: 3243.8 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No