Information card for entry 7024074

Structure parameters

• Formula: C86 H118 Cl2 Cr2 N4 O5
• Calculated formula: C86 H118 Cl2 Cr2 N4 O5
• SMILES: [Cr]123(Cl)(Oc4c(C(C)(C)C)cc(C(C)(C)C)cc4C[N]2(Cc2[n]3cccc2)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1)[OH][Cr]123(Cl)[OH]c4c(C(C)(C)C)cc(C(C)(C)C)cc4C[N]2(Cc2[n]3cccc2)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Structure and magnetic behaviour of mono- and bimetallic chromium(III) complexes of amine-bis(phenolate) ligands.
• Authors of publication: Dean, Rebecca K.; Granville, Stephanie L.; Dawe, Louise N.; Decken, Andreas; Hattenhauer, Karen M.; Kozak, Christopher M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 548 - 559
• a: 15.8636 ± 0.0018 Å
• b: 16.1865 ± 0.0016 Å
• c: 18.334 ± 0.002 Å
• α: 71.836 ± 0.007°
• β: 78.206 ± 0.009°
• γ: 67.999 ± 0.007°
• Cell volume: 4126.8 ± 0.8 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No