Information card for entry 7031733

Structure parameters

• Formula: C33 H60 Ni O3 P2
• Calculated formula: C33 H60 Ni O3 P2
• Title of publication: Nickelalactones with an allyl subunit - the effect of penta-coordination on structures and stability.
• Authors of publication: Freund, Robert R. A.; Görls, Helmar; Langer, Jens
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 37
• Pages of publication: 13988 - 14000
• a: 9.6594 ± 0.0004 Å
• b: 32.5695 ± 0.0015 Å
• c: 10.9054 ± 0.0005 Å
• α: 90°
• β: 101.745 ± 0.001°
• γ: 90°
• Cell volume: 3359 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No