Information card for entry 4107553

Structure parameters

• Common name: {(PNP)Cu}2{SbF6}
• Formula: C72 H120 Cl Cu2 F6 N2 P4 Sb
• Calculated formula: C74 H124 Cl4 Cu1.9744 F6 N2.061 P4 Sb
• 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: 15.8951 ± 0.0008 Å
• b: 14.5628 ± 0.0008 Å
• c: 18.0542 ± 0.001 Å
• α: 90°
• β: 92.806 ± 0.002°
• γ: 90°
• Cell volume: 4174.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.581
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No