Information card for entry 7024717

Structure parameters

• Formula: C45 H62 N2 Ni O8
• Calculated formula: C45 H62 N2 Ni O8
• SMILES: [Ni]123[N](=Cc4c(O2)c(cc(c4)C(C)(C)C)C(C)(C)C)c2c([N]3=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)cc(cc2)C(=O)O.O1CCOCC1.O1CCOCC1
• Title of publication: Soluble monometallic salen complexes derived from O-functionalised diamines as metalloligands for the synthesis of heterobimetallic complexes.
• Authors of publication: Schley, Michael; Fritzsche, Sebastian; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 17
• Pages of publication: 4090 - 4106
• a: 17.4763 ± 0.001 Å
• b: 14.9087 ± 0.0013 Å
• c: 19.1295 ± 0.0011 Å
• α: 90°
• β: 115.318 ± 0.006°
• γ: 90°
• Cell volume: 4505.4 ± 0.6 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.563
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No