Information card for entry 4301873

Structure parameters

• Formula: C45 H40 Cl6 Cu F6 P3 Ti2
• Calculated formula: C44.33 H38.66 Cl4.66 Cu F6 P3 Ti2
• Title of publication: Symmetric Heteropolynuclear Ti(IV)/Cu(I) Complexes Exhibiting Stepwise Electrochemical Reductions to Ti(III) Species
• Authors of publication: Pierre Le Gendre; Virginie Comte; Marie-Joëlle Ondel-Eymin; Claude Moïse; Eveline Pousson; Philippe Richard; Yves Mugnier; Daniel Fortin; René T. Boeré; Pierre D. Harvey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3095 - 3103
• a: 18.8888 ± 0.0006 Å
• b: 12.0637 ± 0.0004 Å
• c: 22.7268 ± 0.0008 Å
• α: 90°
• β: 91.628 ± 0.001°
• γ: 90°
• Cell volume: 5176.6 ± 0.3 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 7
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No