Information card for entry 2014544

Structure parameters

• Chemical name: di-μ-hydroxo-bis{[N,N'-bis(di-1-piperidylmethylene)propane-1,3-diamine- κ^2^N,N']copper(II)} bis(hexafluorophosphate)
• Formula: C50 H94 Cu2 F12 N12 O2 P2
• Calculated formula: C50 H94 Cu2 F12 N12 O2 P2
• Title of publication: The first di-μ-hydroxo-bridged binuclear copper complex containing a bis-guanidine ligand
• Authors of publication: Herres, Sonja; Flörke, Ulrich; Henkel, Gerald
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m659 - m660
• a: 12.3581 ± 0.0009 Å
• b: 16.7472 ± 0.0013 Å
• c: 14.743 ± 0.0011 Å
• α: 90°
• β: 93.156 ± 0.002°
• γ: 90°
• Cell volume: 3046.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes