Information card for entry 7051314

Structure parameters

• Formula: C28 H34 Fe2 N6 O S2 Zn
• Calculated formula: C28 H34 Fe2 N6 O S2 Zn
• 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: 29.171 ± 0.003 Å
• b: 29.171 ± 0.003 Å
• c: 19.702 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14519 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1339
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No