Information card for entry 4332346

Structure parameters

• Common name: (Ph(tBu)N)2Ti2(O2C(N(tBu)Ph)4
• Formula: C68 H93.14 N6 O9 Ti2
• Calculated formula: C68 H93.14 N6 O9 Ti2
• Title of publication: A Diamagnetic Dititanium(III) Paddlewheel Complex with No Direct Metal−Metal Bond
• Authors of publication: Mendiratta, Arjun; Cummins, Christopher C.; Cotton, F. Albert; Ibragimov, Sergey A.; Murillo, Carlos A.; Villagrán, Dino
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4328 - 4330
• a: 11.6091 ± 0.0016 Å
• b: 12.8553 ± 0.0018 Å
• c: 24.358 ± 0.003 Å
• α: 104.509 ± 0.004°
• β: 92.288 ± 0.004°
• γ: 101.522 ± 0.005°
• Cell volume: 3432.8 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No