Information card for entry 7024724

Structure parameters

• Formula: C69 H103 B2 La N14 Ni O4
• Calculated formula: C69 H103 B2 La N14 Ni O4
• SMILES: [La]12345([O]=C(O1)C1[N]6[Ni]7(Oc8c(cc(cc8C=[N]7C1)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1C=6)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: 17.654 ± 0.004 Å
• b: 17.236 ± 0.004 Å
• c: 23.787 ± 0.006 Å
• α: 90°
• β: 96.492 ± 0.004°
• γ: 90°
• Cell volume: 7192 ± 3 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No