Information card for entry 7018899

Structure parameters

• Formula: C104 H124 Cu4 Li2 O8 P6
• Calculated formula: C104.04 H123.96 Cu4 Li2 O8 P6
• 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: 15.4214 ± 0.0003 Å
• b: 15.4214 ± 0.0003 Å
• c: 25.0344 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5156.03 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No