Information card for entry 4089624

Structure parameters

• Formula: C152.43 H215.1 F6 I2 Ni4 O6 P6 S2
• Calculated formula: C152 H214.688 F6 I2 Ni4 O6 P6 S2
• 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: 15.7297 ± 0.0007 Å
• b: 19.8722 ± 0.0007 Å
• c: 25.1292 ± 0.0011 Å
• α: 90°
• β: 102.033 ± 0.003°
• γ: 90°
• Cell volume: 7682.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1024
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No