Information card for entry 4316026

Structure parameters

• Formula: C64 H53 Cl3 N3 P4 Rh
• Calculated formula: C64 H53 Cl3 N3 P4 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.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: 11.8086 ± 0.0005 Å
• b: 14.6492 ± 0.0004 Å
• c: 17.0348 ± 0.0005 Å
• α: 83.286 ± 0.002°
• β: 87.505 ± 0.002°
• γ: 71.163 ± 0.002°
• Cell volume: 2769.79 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No