Information card for entry 7014470

Structure parameters

• Formula: C24 H19 Cl2 Fe N6 O4.5
• Calculated formula: C24 H18 Cl2 Fe N6 O4.5
• Title of publication: Unsymmetrical diimine complexes of iron(II) and manganese(II): synthesis, structure and photoluminescence of an isomer.
• Authors of publication: Roy, Amit Saha; Biswas, Manas Kumar; Weyhermüller, Thomas; Ghosh, Prasanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 146 - 155
• a: 12.5743 ± 0.0009 Å
• b: 14.0029 ± 0.0006 Å
• c: 15.1688 ± 0.001 Å
• α: 90°
• β: 113.043 ± 0.004°
• γ: 90°
• Cell volume: 2457.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No