Information card for entry 7001112

Structure parameters

• Formula: C28 H32 Cu F6 N2 P
• Calculated formula: C28 H32 Cu F6 N2 P
• Title of publication: On the syntheses, NMR spectroscopic and structural characterisations of [CuL(C2H4)]·PF6 and [Cu2L2(μ-C4H6)]·2PF6: L = (±)-N,N′-bis(2,4,6-trimethylbenzylidene)-1,2-diaminocyclohexane
• Authors of publication: Bainbridge, Michael J.; Smith, John R. Lindsay; Walton, Paul H.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3143 - 3152
• a: 17.957 ± 0.006 Å
• b: 18.013 ± 0.009 Å
• c: 9.057 ± 0.005 Å
• α: 90°
• β: 94.86 ± 0.04°
• γ: 90°
• Cell volume: 2919 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3076
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2518
• Weighted residual factors for all reflections included in the refinement: 0.3454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No