Information card for entry 7018901

Structure parameters

• Formula: C64 H120 Cu2 Li2 O4 P4
• Calculated formula: C64 H120 Cu2 Li2 O4 P4
• 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: 11.0379 ± 0.0001 Å
• b: 16.0222 ± 0.0002 Å
• c: 20.8778 ± 0.0003 Å
• α: 77.187 ± 0.001°
• β: 82.664 ± 0.001°
• γ: 75.705 ± 0.001°
• Cell volume: 3478.44 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No