Information card for entry 7109909

Structure parameters

• Formula: C112 H132 Cd5 Cl8 Li2 O4
• Calculated formula: C104 H116 Cd5 Cl8 Li2 O2
• Title of publication: Cubane and dicubane complexes stabilised by sterically demanding m-terphenyl ligands
• Authors of publication: Benjamin M. Gridley; Toby J. Blundell; Graeme J. Moxey; William Lewis; Alexander J. Blake; Deborah L. Kays
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9752
• a: 16.3276 ± 0.0011 Å
• b: 20.518 ± 0.0015 Å
• c: 17.4669 ± 0.0012 Å
• α: 90°
• β: 103.979 ± 0.001°
• γ: 90°
• Cell volume: 5678.3 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No