Information card for entry 7024723

Structure parameters

• Formula: C73 H103 B2 Cu La N14 O4
• Calculated formula: C73 H103 B2 Cu La N14 O4
• SMILES: [La]12345([O]=C(O1)c1ccc6[N]7=Cc8c(O[Cu]97Oc7c(cc(cc7C(C)(C)C)C(C)(C)C)C=[N]9c6c1)c(cc(c8)C(C)(C)C)C(C)(C)C)([n]1n(c(cc1C)C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C)[n]1n(c(cc1C)C)[BH](n1[n]4c(cc1C)C)n1[n]5c(cc1C)C.CCCCCC
• 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: 16.5597 ± 0.0015 Å
• b: 22.6673 ± 0.0016 Å
• c: 21.8126 ± 0.0016 Å
• α: 90°
• β: 107.794 ± 0.009°
• γ: 90°
• Cell volume: 7796 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.0927
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.663
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No