Information card for entry 4333032

Structure parameters

• Formula: C52 H62 Br3 N8 Ni2 O1.5
• Calculated formula: C52 H61 Br3 N8 Ni2 O1.5
• Title of publication: Spacially Confined M2Centers (M = Fe, Co, Ni, Zn) on a Sterically Bulky Binucleating Support: Synthesis, Structures and Ethylene Oligomerization Studies
• Authors of publication: Champouret, Yohan D. M.; Fawcett, John; Nodes, William J.; Singh, Kuldip; Solan, Gregory A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9890 - 9900
• a: 13.267 ± 0.003 Å
• b: 14.1 ± 0.003 Å
• c: 16.802 ± 0.004 Å
• α: 65.587 ± 0.004°
• β: 78.435 ± 0.004°
• γ: 66.968 ± 0.004°
• Cell volume: 2631.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No