Information card for entry 7051313

Structure parameters

• Formula: C28 H34.33 Fe2 N6 Ni O1.17 S2
• Calculated formula: C28 H34.34 Fe2 N6 Ni O1.16667 S2
• Title of publication: A supramolecular analog of cyclohexane sustained by aromatic C‒H···π interactions between ferrocene moieties: molecular packing of ferrocene-containing thiosemicarbazato metal complexes
• Authors of publication: Fang Chen-jie; Duan Chun-ying; He Cheng; Han Gang; Meng Qing-jin
• Journal of publication: New J. Chem.
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 9
• Pages of publication: 697 - 701
• a: 29.293 ± 0.004 Å
• b: 29.293 ± 0.004 Å
• c: 18.476 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13730 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No