Information card for entry 7025501

Structure parameters

• Formula: C16 H26 N2 Ni O4
• Calculated formula: C16 H26 N2 Ni O4
• SMILES: [Ni]12([N](=CC=[N]1C(C)(C)C)C(C)(C)C)C(=C2C(=O)OC)C(=O)OC
• 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: 15.5058 ± 0.0006 Å
• b: 12.0233 ± 0.0005 Å
• c: 19.8419 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3699.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No