Information card for entry 1552312

Structure parameters

• Chemical name: 1,3-Dimethyl-1,3-diphenyldisila-2oxa[3]nickelocenophane
• Formula: C26.5 H24 Ni O Si2
• Calculated formula: C26.5 H24 Ni O Si2
• Title of publication: Role of torsional strain in the ring-opening polymerisation of low strain [n]nickelocenophanes
• Authors of publication: Musgrave, Rebecca A.; Hailes, Rebekah L. N.; Annibale, Vincent T.; Manners, Ian
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 9.9885 ± 0.0004 Å
• b: 22.3509 ± 0.0009 Å
• c: 10.929 ± 0.0004 Å
• α: 90°
• β: 95.756 ± 0.002°
• γ: 90°
• Cell volume: 2427.62 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• 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: 0.0419
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No