Information card for entry 7119699

Structure parameters

• Formula: C34 H58 F3 N O3 P2 S Ti
• Calculated formula: C34 H58 F3 N O3 P2 S Ti
• Title of publication: A radical coupled pathway to a stable and terminally bound titanium methylidene.
• Authors of publication: Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 3412 - 3414
• a: 15.1311 ± 0.001 Å
• b: 18.4016 ± 0.0012 Å
• c: 15.2549 ± 0.001 Å
• α: 90°
• β: 111.107 ± 0.004°
• γ: 90°
• Cell volume: 3962.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0995
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No