Information card for entry 7058267

Structure parameters

• Formula: C43 H55 O4 Ti2
• Calculated formula: C43 H55 O4 Ti2
• Title of publication: Di-tert-butylcatecholate derivatives of titanocene
• Authors of publication: Petrov, Pavel A.; Sukhikh, Taisiya S.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Laricheva, Yuliya A.; Piskunov, Alexandr V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6636
• a: 10.1699 ± 0.0018 Å
• b: 32.789 ± 0.006 Å
• c: 11.604 ± 0.002 Å
• α: 90°
• β: 96.672 ± 0.004°
• γ: 90°
• Cell volume: 3843.3 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No