Information card for entry 7031734

Structure parameters

• Formula: C52 H96 Ni P4
• Calculated formula: C52 H96 Ni P4
• SMILES: C1[P](C2CCCCC2)(C2CCCCC2)[Ni]2([P](C1)(C1CCCCC1)C1CCCCC1)[P](CC[P]2(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
• 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: 13.2538 ± 0.0003 Å
• b: 9.9914 ± 0.0002 Å
• c: 21.0848 ± 0.0003 Å
• α: 90°
• β: 103.144 ± 0.001°
• γ: 90°
• Cell volume: 2718.98 ± 0.09 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No