Information card for entry 7119157

Structure parameters

• Formula: C8.5 H7 Cu N5 Ne0.316 O2
• Calculated formula: C8.5 H7 Cu N5 Ne0.3165 O2
• 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: 28.6841 ± 0.0011 Å
• b: 9.2655 ± 0.0005 Å
• c: 9.3005 ± 0.0004 Å
• α: 90°
• β: 116.369 ± 0.003°
• γ: 90°
• Cell volume: 2214.63 ± 0.18 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0455
• Goodness-of-fit parameter for all reflections: 4.23
• 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