Information card for entry 4500745

Structure parameters

• Formula: C60 H96 N12 Ni4 O26
• Calculated formula: C60 H96 N12 Ni4 O26
• Title of publication: Novel Twofold Interpenetrating Channel Framework Based on Metal Tetramer Subunits
• Authors of publication: Guo, Jingjing; Li, Xinhua; Moorefield, Charles N.; Newkome, George R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 2695
• a: 13.7327 ± 0.0015 Å
• b: 13.7327 ± 0.0015 Å
• c: 25.466 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4802.6 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.187
• Residual factor for significantly intense reflections: 0.1533
• Weighted residual factors for significantly intense reflections: 0.3268
• Weighted residual factors for all reflections included in the refinement: 0.3551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No