Information card for entry 7037979

Structure parameters

• Formula: C16 H28 Br2 N4 Ni O4
• Calculated formula: C16 H28 Br2 N4 Ni O4
• SMILES: [Br-].[Ni]1234([n]5ccccc5C[NH]1CC[OH]4)[n]1ccccc1C[NH]2CC[OH]3.O.[Br-].O
• Title of publication: Ethylene oligomerization studies by nickel(ii) complexes chelated by (amino)pyridine ligands: experimental and density functional theory studies.
• Authors of publication: Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3407 - 3416
• a: 8.195 ± 0.0004 Å
• b: 8.3725 ± 0.0004 Å
• c: 8.9081 ± 0.0004 Å
• α: 109.596 ± 0.002°
• β: 98.327 ± 0.002°
• γ: 101.729 ± 0.002°
• Cell volume: 548.55 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No