Information card for entry 7106122

Structure parameters

• Formula: C20 H24 N14 Ni3 O14.18
• Calculated formula: C20 H24 N14 Ni3 O14.18
• Title of publication: CO2 Selectivity of a 1D Microporous Adenine-Based Metal Organic Framework Synthesised in Water
• Authors of publication: Kyriakos C. Stylianou; John E. Warren; Samantha Y. Chong; Jeremy Rabone; John Bacsa; Darren Bradshaw; Matthew J. Rosseinsky
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3389
• a: 7.332 ± 0.005 Å
• b: 9.916 ± 0.006 Å
• c: 11.832 ± 0.007 Å
• α: 67.278 ± 0.008°
• β: 80.572 ± 0.009°
• γ: 72.566 ± 0.008°
• Cell volume: 755.9 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6939 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No