Information card for entry 7016571

Structure parameters

• Chemical name: {[(dippe)Ni(CO)]2(mu-dippe)}
• Formula: C44 H96 Ni2 O2 P6
• Calculated formula: C44 H96 Ni2 O2 P6
• SMILES: CC(C)[P]1(C(C)C)CC[P]([Ni]1([P](C(C)C)(C(C)C)CC[P](C(C)C)(C(C)C)[Ni]1([P](C(C)C)(C(C)C)CC[P]1(C(C)C)C(C)C)C#[O])C#[O])(C(C)C)C(C)C
• Title of publication: Reduction of CO(2) and SO(2) with low valent nickel compounds under mild conditions.
• Authors of publication: González-Sebastián, Lucero; Flores-Alamo, Marcos; García, Juventino J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 36
• Pages of publication: 9116 - 9122
• a: 8.722 ± 0.0006 Å
• b: 11.5158 ± 0.0008 Å
• c: 14.3744 ± 0.001 Å
• α: 102.32 ± 0.006°
• β: 91.092 ± 0.006°
• γ: 112.112 ± 0.007°
• Cell volume: 1298.88 ± 0.18 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No