Information card for entry 7125951

Structure parameters

• Formula: C25 H28 B Br Cl2 N6 O2 W
• Calculated formula: C25 H28 B Br Cl2 N6 O2 W
• Title of publication: Bi- and poly(carbyne) functionalised polycyclic aromatics.
• Authors of publication: Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 22
• Pages of publication: 3265 - 3268
• a: 16.371 ± 0.0006 Å
• b: 10.3034 ± 0.0005 Å
• c: 17.1373 ± 0.0006 Å
• α: 90°
• β: 94.539 ± 0.004°
• γ: 90°
• Cell volume: 2881.6 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No