Information card for entry 7016313

Structure parameters

• Common name: octamethylferrocene-dibromonaphthoquinone complex
• Chemical name: octamethylferrocene-dibromonaphthoquinone complex
• Formula: C38 H32 Cl4 Fe O4
• Calculated formula: C38 H32 Cl4 Fe O4
• Title of publication: Charge-transfer complexes from decamethylferrocene and 1,4-quinone derivatives: neutral-ionic phase diagrams for metallocene complexes.
• Authors of publication: Mochida, Tomoyuki; Funasako, Yusuke; Azumi, Hiroko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 36
• Pages of publication: 9221 - 9228
• a: 13.7023 ± 0.0007 Å
• b: 8.1596 ± 0.0004 Å
• c: 15.0503 ± 0.0008 Å
• α: 90°
• β: 96.185 ± 0.001°
• γ: 90°
• Cell volume: 1672.91 ± 0.15 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• 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: 0.0863
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No