Information card for entry 2239326

Structure parameters

• Chemical name: Bis{μ-<i>cis</i>-1,3-bis[(di-<i>tert</i>-butylphosphanyl)oxy]cyclohexane-κ^2^<i>P</i>:<i>P</i>'}bis[carbonylnickel(0)]
• Formula: C46 H92 Ni2 O6 P4
• Calculated formula: C46 H92 Ni2 O6 P4
• SMILES: C(#[O])[Ni]1[P](O[C@@H]2C[C@@H](CCC2)O[P](C(C)(C)C)(C(C)(C)C)[Ni](C#[O])[P](O[C@H]2C[C@H](CCC2)O[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Bis{μ-<i>cis</i>-1,3-bis[(di-<i>tert</i>-butylphosphanyl)oxy]cyclohexane-κ^2^<i>P</i>:<i>P</i>'}bis[carbonylnickel(0)] including an unknown solvent molecule
• Authors of publication: Jonasson, Klara J.; Wendt, Ola F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m176 - m177
• a: 31.7851 ± 0.0009 Å
• b: 8.5449 ± 0.0002 Å
• c: 21.3311 ± 0.0005 Å
• α: 90°
• β: 90.995 ± 0.002°
• γ: 90°
• Cell volume: 5792.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes