Information card for entry 7119155

Structure parameters

• Formula: C4 H Ne1.045 Ni O3
• Calculated formula: C4 H Ne1.04417 Ni O3
• Title of publication: Capturing neon – the first experimental structure of neon trapped within a metal-organic environment
• Authors of publication: Wood, Peter A.; Sarjeant, Amy A.; Yakovenko, Andrey A.; Ward, Suzanna C.; Groom, Colin R.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 65
• Pages of publication: 10048 - 10051
• a: 25.7611 ± 0.0004 Å
• b: 25.7611 ± 0.0004 Å
• c: 6.7565 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3883.12 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.0558
• Goodness-of-fit parameter for all reflections: 3.26
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.72768 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No