Information card for entry 7103773

Structure parameters

• Formula: C131 H170 Cl8 K2 O18.5 Ti2
• Calculated formula: C130 H164 Cl9 K2 O18.5 Ti2
• Title of publication: A heterobimetallic K2Ti2 complex incorporating two calix[5]arenes: A diverse array of metal - ligand interplay
• Authors of publication: Robert Norman Lamb; Donald C. Craig; Antonella J. Petrella; Colin Raston; Nicholas K. Roberts
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 17.118 ± 0.002 Å
• b: 18.018 ± 0.003 Å
• c: 25.197 ± 0.004 Å
• α: 85.914 ± 0.002°
• β: 70.719 ± 0.002°
• γ: 74.888 ± 0.002°
• Cell volume: 7081 ± 3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 150 ± 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 significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 2.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No