Information card for entry 4317001

Structure parameters

• Formula: C136 H280 F12 Ni6 O17 P12 S12
• Calculated formula: C136 H280 F12 Ni6 O17 P12 S12
• Title of publication: Reactions of CO2 and CS2 with 1,2-Bis(di-tert-butylphosphino)ethane Complexes of Nickel(0) and Nickel(I)
• Authors of publication: John S. Anderson; Vlad M. Iluc; Gregory L. Hillhouse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10203 - 10207
• a: 11.0008 ± 0.001 Å
• b: 49.92 ± 0.004 Å
• c: 16.147 ± 0.0014 Å
• α: 90°
• β: 100.975 ± 0.002°
• γ: 90°
• Cell volume: 8705.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1437
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No