Information card for entry 1545312

Structure parameters

• Common name: Zr6O4(OH)4(bpydc)5.64(NiBr2)5.64
• Formula: C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6
• Calculated formula: C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6
• Title of publication: Ethylene Oligomerization in Metal‒Organic Frameworks Bearing Nickel(II) 2,2′-Bipyridine Complexes
• Authors of publication: Gonzalez, Miguel; Oktawiec, Julia; Long, Jeffrey R.
• Journal of publication: Faraday Discuss.
• Year of publication: 2017
• a: 26.2758 ± 0.0008 Å
• b: 26.2758 ± 0.0008 Å
• c: 26.2758 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18141.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.8856 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No