Information card for entry 4316022

Structure parameters

• Formula: C70 H59 Cl Cu N3 P4
• Calculated formula: C70 H59 Cl Cu N3 P4
• 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: 13.3031 ± 0.0004 Å
• b: 16.064 ± 0.0008 Å
• c: 28.4747 ± 0.0011 Å
• α: 90°
• β: 109.007 ± 0.002°
• γ: 90°
• Cell volume: 5753.3 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No