Information card for entry 4316023

Structure parameters

• Formula: C96 H140 Cl2 Cu2 N6 P8
• Calculated formula: C96 H140 Cl2 Cu2 N6 P8
• 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: 13.1136 ± 0.0012 Å
• b: 19.62 ± 0.0011 Å
• c: 19.9505 ± 0.0015 Å
• α: 101.014 ± 0.002°
• β: 99.822 ± 0.002°
• γ: 105.092 ± 0.003°
• Cell volume: 4731.4 ± 0.6 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: 0.0465
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No