Information card for entry 7005825

Structure parameters

• Common name: 04305-complex 19
• Formula: C18 H36 Cu F6 N4 P
• Calculated formula: C18 H36 Cu F5.99994 N4 P0.99999
• Title of publication: Modular syntheses of multidentate ligands with variable N-donors: applications to tri- and tetracopper(I) complexes.
• Authors of publication: Brown, Eric C.; Johnson, Brandon; Palavicini, Sara; Kucera, Benjamin E.; Casella, Luigi; Tolman, William B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 28
• Pages of publication: 3035 - 3042
• a: 13.5564 ± 0.0005 Å
• b: 13.5564 ± 0.0005 Å
• c: 13.5564 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2491.34 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No