Information card for entry 7024727

Structure parameters

• Formula: C46 H62 Cl Cr N4 O6
• Calculated formula: C46 H62 Cl Cr N4 O6
• SMILES: [Cr]123(Cl)(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C=[N]2c2c([N]3=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)cc(cc2)C(=O)O)[n]1[nH]c(cc1C)C.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: 9.5249 ± 0.0016 Å
• b: 15.812 ± 0.003 Å
• c: 17.539 ± 0.003 Å
• α: 66.033 ± 0.017°
• β: 79.982 ± 0.016°
• γ: 76.191 ± 0.017°
• Cell volume: 2335.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No