Information card for entry 7016572

Structure parameters

• Chemical name: [(dippe)Ni(S2O3)]
• Formula: C14 H32 Ni O3 P2 S2
• Calculated formula: C14 H32 Ni O3 P2 S2
• SMILES: C(C)(C)[P]1(C(C)C)CC[P](C(C)C)(C(C)C)[Ni]21OS(=O)(=O)S2
• 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: 22.7088 ± 0.0003 Å
• b: 22.7088 ± 0.0003 Å
• c: 7.9025 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4075.24 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No