Information card for entry 4061486

Structure parameters

• Formula: C49 H39 Cl3 Fe P2 Ru
• Calculated formula: C49 H39 Cl3 Fe P2 Ru
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)[P](c1ccccc1)(c1ccccc1)[Ru](=C\C=C(/c1ccccc1)c1ccccc1)(Cl)(Cl)(Cl)[P]3(c1ccccc1)c1ccccc1
• Title of publication: Efficient One-Pot Synthesis of a,ß-Unsaturated Carbyne Complexes fac-[RuX3{=CC(H)=CR2}(dppf)] (X = Cl, Br; R = Aryl, Alkyl; dppf = 1,1´-Bis(diphenylphosphino)ferrocene)
• Authors of publication: Victorio Cadierno; Josefina Díez; Sergi E. García-Ǵarrido; José Gimeno
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 11.512 ± 0.003 Å
• b: 15.153 ± 0.004 Å
• c: 27.063 ± 0.006 Å
• α: 90°
• β: 93.156 ± 0.006°
• γ: 90°
• Cell volume: 4714.1 ± 1.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No