Information card for entry 7134611

Structure parameters

• Formula: C12 H18 B10 N2
• Calculated formula: C12 H18 B10 N2
• Title of publication: A new carborane scaffold for assembling metal–organic frameworks
• Authors of publication: Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 53
• Pages of publication: 9634 - 9637
• a: 7.9697 ± 0.0001 Å
• b: 10.5301 ± 0.0002 Å
• c: 9.6227 ± 0.0001 Å
• α: 90°
• β: 106.128 ± 0.001°
• γ: 90°
• Cell volume: 775.77 ± 0.02 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No