Information card for entry 7037978

Structure parameters

• Formula: C18 H28 Br2 N4 Ni O2
• Calculated formula: C18 H28 Br2 N4 Ni O2
• SMILES: c1cccc2C[NH]3CC[O](C)[Ni]43([n]12)([n]1ccccc1C[NH]4CCOC)Br.[Br-]
• 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: 9.2476 ± 0.0005 Å
• b: 9.887 ± 0.0006 Å
• c: 12.521 ± 0.0007 Å
• α: 92.876 ± 0.003°
• β: 90.579 ± 0.003°
• γ: 110.439 ± 0.004°
• Cell volume: 1070.92 ± 0.11 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: 0.0421
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No