Information card for entry 7018900

Structure parameters

• Formula: C42 H52 Cu2 Li2 N2 O4 P2
• Calculated formula: C42 H52 Cu2 Li2 N2 O4 P2
• Title of publication: Expanding the tools available for direct ortho cupration ‒ targeting lithium phosphidocuprates
• Authors of publication: Harford, Philip J.; Haywood, Joanna; Smith, Matthew R.; Bhawal, Benjamin N.; Raithby, Paul R.; Uchiyama, Masanobu; Wheatley, Andrew E. H.
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 20
• Pages of publication: 6148
• a: 18.3517 ± 0.0003 Å
• b: 18.3517 ± 0.0003 Å
• c: 14.035 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4093.51 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1894
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No