Information card for entry 7025495

Structure parameters

• Formula: C28 H36 N2 Ni
• Calculated formula: C28 H36 N2 Ni
• SMILES: [Ni]1234([N](c5c(cc(cc5C)C)C)=CC=[N]1c1c(cc(cc1C)C)C)[CH]1=[CH]3CC[CH]2=[CH]4CC1
• Title of publication: Synthesis and exchange reactions of Ni-dimine-COD, acetylene and olefin complexes.
• Authors of publication: Sgro, Michael J.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 25
• Pages of publication: 5786 - 5794
• a: 8.274 ± 0.0003 Å
• b: 10.5006 ± 0.0003 Å
• c: 15.2269 ± 0.0005 Å
• α: 72.275 ± 0.002°
• β: 87.47 ± 0.002°
• γ: 81.677 ± 0.002°
• Cell volume: 1246.87 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No