Information card for entry 1556675

Structure parameters

• Common name: [(DPFN)Cu2tBuCP](NTf2)2
• Formula: C43 H39 Cu2 F14 N8 O9 P S4
• Calculated formula: C43 H39 Cu2 F14 N8 O9 P S4
• Title of publication: Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.
• Authors of publication: Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1607 - 1616
• a: 12.4499 ± 0.0007 Å
• b: 12.637 ± 0.0006 Å
• c: 18.5946 ± 0.0009 Å
• α: 89.354 ± 0.002°
• β: 84.84 ± 0.002°
• γ: 72.243 ± 0.002°
• Cell volume: 2774.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1446
• Residual factor for significantly intense reflections: 0.1273
• Weighted residual factors for significantly intense reflections: 0.395
• Weighted residual factors for all reflections included in the refinement: 0.4173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.888
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No