Information card for entry 4089627

Structure parameters

• Formula: C61 H87 N Ni3 O4 P3
• Calculated formula: C62.088 H90.264 N Ni3 O3 P3
• Title of publication: Trinuclear Nickel Complexes with Metal-Arene Interactions Supported by Tris- and Bis(phosphinoaryl)benzene Frameworks.
• Authors of publication: Suseno, Sandy; Horak, Kyle T.; Day, Michael W.; Agapie, Theodor
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 6883 - 6886
• a: 18.977 ± 0.008 Å
• b: 13.886 ± 0.005 Å
• c: 24.819 ± 0.012 Å
• α: 90°
• β: 107.965 ± 0.013°
• γ: 90°
• Cell volume: 6221 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No