Information card for entry 7119156

Structure parameters

• Formula: C8.5 H7 Cu N5 Ne0.446 O2
• Calculated formula: C8.5 H7 Cu N5 Ne0.4455 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: 28.6315 ± 0.0013 Å
• b: 9.2743 ± 0.0005 Å
• c: 9.2833 ± 0.0005 Å
• α: 90°
• β: 116.615 ± 0.004°
• γ: 90°
• Cell volume: 2203.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.032
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for all reflections: 3.51
• 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