Information card for entry 4113246

Structure parameters

• Chemical name: triclinic
• Formula: C114 H202 I14 N30 Ni6 O41
• Calculated formula: C114 H168 I14.004 N30 Ni6 O41
• Title of publication: Dynamic and Redox Active Pillared Bilayer Open Framework: Single-Crystal-to-Single-Crystal Transformations upon Guest Removal, Guest Exchange, and Framework Oxidation
• Authors of publication: Hye Jin Choi; Myunghyun Paik Suh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15844 - 15851
• a: 16.434 ± 0.0014 Å
• b: 19.9138 ± 0.0018 Å
• c: 20.3375 ± 0.0018 Å
• α: 71.255 ± 0.002°
• β: 70.065 ± 0.002°
• γ: 74.827 ± 0.002°
• Cell volume: 5837.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.4654
• Residual factor for significantly intense reflections: 0.1547
• Weighted residual factors for significantly intense reflections: 0.3337
• Weighted residual factors for all reflections included in the refinement: 0.496
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No