Information card for entry 7202269

Structure parameters

• Formula: C54 H48 N4 Ni2 O12
• Calculated formula: C54 H48 N4 Ni2 O12
• Title of publication: Generation of a 4-crossing [2]-catenane motif by the 2D→2D parallel interpenetration of pairs of (4,4) sheets
• Authors of publication: Liu, Jian-Qiang; Wang, Yao-Yu; Ma, Lu-Fang; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.; Proserpio, Davide M.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1123
• a: 13.963 ± 0.008 Å
• b: 19.593 ± 0.011 Å
• c: 36.03 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9857 ± 10 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.2175
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2449
• Weighted residual factors for all reflections included in the refinement: 0.271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No