Information card for entry 1552084

Structure parameters

• Formula: C14 H12 N5 Ni0.5 O2.5
• Calculated formula: C28 H24 N10 Ni O5
• Title of publication: A flexible interpenetrating coordination framework with a bimodal porous functionality
• Authors of publication: Tapas Kumar Maj; Ryotaro Matsuda; Susumu Kitagawa
• Journal of publication: Nature Materials
• Year of publication: 2007
• Journal volume: 6
• Pages of publication: 142 - 148
• a: 18.21 ± 0.03 Å
• b: 19.99 ± 0.03 Å
• c: 8.632 ± 0.013 Å
• α: 90°
• β: 100.39 ± 0.05°
• γ: 90°
• Cell volume: 3091 ± 8 ų
• Cell temperature: 223.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No