Information card for entry 4075724

Structure parameters

• Formula: C24 H14 Fe3 O8 Ru S2 Se2
• Calculated formula: C24 H14 Fe3 O8 Ru S2 Se2
• SMILES: [Ru]12([Fe]3([S]1[C]14[Fe]5([Se]([c]67[cH]8[Fe]9%10%11%12%13%146([c]6([cH]9[cH]%10[cH]%11[cH]%126)[Se]CC#C)[cH]7[cH]%13[cH]8%14)[CH]=15)([S]23)(C#[O])(C#[O])C4)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Characterization of Ferrocenylchalcogenopropargyl Complexes [Fe(η5-C5H4EICH2C⋮CH)2] (EI= Se, S) and Their Reactions To Form Unusual Ferrocenyl-Containing Metal Clusters with Eclipsed Cp Rings and New Five-Membered FeEICHCCH2Ring Ligand System†
• Authors of publication: Mathur, Pradeep; Singh, Vinay K.; Mobin, Shaikh M.; Srinivasu, Chimalakonda; Trivedi, Rajiv; Bhunia, Anjan K.; Puranik, Vedavati G.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 367
• a: 11.4021 ± 0.0017 Å
• b: 10.8602 ± 0.0017 Å
• c: 24.127 ± 0.004 Å
• α: 90°
• β: 97.031 ± 0.003°
• γ: 90°
• Cell volume: 2965.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1506
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.2452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No