Information card for entry 7020532

Structure parameters

• Formula: C26 H38 N Ni O3 P S
• Calculated formula: C26 H38 N Ni O3 P S
• SMILES: [Ni]1(C)([P](c2ccccc2S(=O)(=O)O1)(C1CCCCC1)C1CCCCC1)[n]1c(cccc1C)C
• Title of publication: Ethylene/allyl monomer cooligomerization by nickel/phosphine-sulfonate catalysts.
• Authors of publication: Ito, Shingo; Ota, Yusuke; Nozaki, Kyoko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 45
• Pages of publication: 13807 - 13809
• a: 9.531 ± 0.006 Å
• b: 17.392 ± 0.01 Å
• c: 16.284 ± 0.01 Å
• α: 90°
• β: 101.57 ± 0.01°
• γ: 90°
• Cell volume: 2644 ± 3 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No