Information card for entry 7024072

Structure parameters

• Formula: C42.5 H65 Cl Cr N O4
• Calculated formula: C42.5 H54 Cl Cr N O4
• 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: 12.816 ± 0.002 Å
• b: 20.06 ± 0.004 Å
• c: 16.455 ± 0.003 Å
• α: 90°
• β: 94.055 ± 0.004°
• γ: 90°
• Cell volume: 4219.8 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0807
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No