Information card for entry 7031732

Structure parameters

• Formula: C43 H52 Ni2 O5 P2
• Calculated formula: C43 H52 Ni2 O5 P2
• SMILES: [Ni]1234[P](C[P]([Ni]567([O]1C(=O)C[C]2(=[C]3(C4)C)C)OC(=O)C[C]5(=[C]6(C7)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC
• 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: 10.9306 ± 0.0003 Å
• b: 11.3308 ± 0.0003 Å
• c: 18.4592 ± 0.0005 Å
• α: 72.221 ± 0.001°
• β: 76.133 ± 0.001°
• γ: 67.433 ± 0.001°
• Cell volume: 1990.74 ± 0.09 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.1129
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No