Information card for entry 7109908

Structure parameters

• Formula: C77.5 H86.5 Cd3 Cl3.68 I0.32 Li O
• Calculated formula: C77.5 H86.5 Cd3 Cl3.6845 I0.3155 Li O
• 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: 13.8697 ± 0.0007 Å
• b: 14.0269 ± 0.0007 Å
• c: 42.588 ± 0.002 Å
• α: 84.246 ± 0.001°
• β: 80.794 ± 0.001°
• γ: 62.926 ± 0.001°
• Cell volume: 7278.9 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No