Information card for entry 4110862

Structure parameters

• Formula: C120 H104 N8 O16 P4 Ti2
• Calculated formula: C120 H104 N8 O16 P4 Ti2
• Title of publication: Metallosupramolecular Chemistry with Bis(benzene-o-dithiolato) Ligands
• Authors of publication: Thorsten Kreickmann; Christian Diedrich; Tania Pape; Han Vinh Huynh; Stefan Grimme; F. Ekkehardt Hahn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 11808 - 11819
• a: 14.038 ± 0.003 Å
• b: 15.014 ± 0.003 Å
• c: 15.241 ± 0.003 Å
• α: 105.879 ± 0.004°
• β: 100.689 ± 0.004°
• γ: 110.322 ± 0.004°
• Cell volume: 2753.7 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1717
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No