Information card for entry 4107550

Structure parameters

• Common name: [Cu(PNP)-(PNP)Cu]2+
• Formula: C68 H96 B2 Cl2 Cu2 F8 N2 P4
• Calculated formula: C68 H96 B2 Cl2 Cu2 F8 N2 P4
• Title of publication: Probing the Electronic Structures of [Cu2(μ-XR2)]n+ Diamond Cores as a Function of the Bridging X Atom (X = N or P) and Charge (n= 0, 1, 2)
• Authors of publication: Seth B. Harkins; Neal P. Mankad; Alexander J. M. Miller; Robert K. Szilagyi; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 3478 - 3485
• a: 11.9248 ± 0.0018 Å
• b: 18.516 ± 0.003 Å
• c: 19.469 ± 0.003 Å
• α: 63.644 ± 0.004°
• β: 76.885 ± 0.003°
• γ: 71.259 ± 0.003°
• Cell volume: 3629.6 ± 1 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: 0.1866
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.2405
• Weighted residual factors for all reflections included in the refinement: 0.298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No