Information card for entry 4089626

Structure parameters

• Formula: C34 H40 Ni3 O4 P2
• Calculated formula: C34 H40 Ni3 O4 P2
• SMILES: [Ni]123456[Ni]789%10([Ni]%111([cH]1[c]9([cH]8[cH]3[c]4([cH]%111)c1ccccc1[P]2(C(C)C)C(C)C)c1ccccc1[P]7(C(C)C)C(C)C)(C%10=O)(C6=O)C#[O])C5=O
• 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: 13.2747 ± 0.0006 Å
• b: 14.3889 ± 0.0006 Å
• c: 17.016 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3250.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No