Information card for entry 7225041

Structure parameters

• Chemical name: 1,3-ditellura-2-thiaferrocenophane
• Formula: C10 H8 Fe S Te2
• Calculated formula: C10 H8 Fe S Te2
• SMILES: [Te]1S[Te][c]23[cH]4[Fe]56789%102([c]21[cH]8[cH]7[cH]6[cH]52)[cH]3[cH]9[cH]4%10
• Title of publication: Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes
• Authors of publication: Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 4538
• a: 13.514 ± 0.003 Å
• b: 10.494 ± 0.002 Å
• c: 16.226 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2301.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No