Information card for entry 4060455

Structure parameters

• Formula: C26 H18 Fe
• Calculated formula: C26 H18 Fe
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82C#Cc1c2ccccc2cc2ccccc12
• Title of publication: Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads
• Authors of publication: Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 9
• Pages of publication: 2051 - 2060
• a: 7.265 ± 0.003 Å
• b: 11.059 ± 0.004 Å
• c: 22.303 ± 0.008 Å
• α: 90°
• β: 91.824 ± 0.005°
• γ: 90°
• Cell volume: 1791.2 ± 1 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Duplicate of: 1100887
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No