Information card for entry 7024726

Structure parameters

• Formula: C89 H134 B2 Cr La N18 O4
• Calculated formula: C77 H106 B2 Cr La N18 O4
• SMILES: [La]12345([O]=C(O1)c1ccc6[N]7[Cr]8(Oc9c(cc(cc9C(C)(C)C)C(C)(C)C)C=[N]8c6c1)(Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C=7)([n]1[nH]c(cc1C)C)[n]1[nH]c(cc1C)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
• 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: 16.8338 ± 0.0011 Å
• b: 17.3435 ± 0.0011 Å
• c: 20.1484 ± 0.0013 Å
• α: 68.716 ± 0.001°
• β: 66.965 ± 0.001°
• γ: 67.794 ± 0.001°
• Cell volume: 4849.6 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No