Information card for entry 7115198

Structure parameters

• Formula: C17 H18 N5 Ni O7
• Calculated formula: C17 H12 N5 Ni O7
• Title of publication: Zeolite-like crystal structure of an empty microporous molecular framework
• Authors of publication: Kepert, Cameron J.; Rosseinsky, Matthew J.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 4
• Pages of publication: 375
• a: 12.156 ± 0.002 Å
• b: 18.891 ± 0.003 Å
• c: 17.584 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4038 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.1728
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections: 0.2435
• Weighted residual factors for significantly intense reflections: 0.2028
• Goodness-of-fit parameter for all reflections: 0.945
• Goodness-of-fit parameter for significantly intense reflections: 1.252
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No