Information card for entry 4060456

Structure parameters

• Formula: C28 H18 Fe
• Calculated formula: C28 H18 Fe
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[c]8([cH]7[cH]6[cH]12)C#Cc1ccc2ccc3cccc4ccc1c2c34
• 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: 7.81 ± 0.005 Å
• b: 9.956 ± 0.006 Å
• c: 13.205 ± 0.008 Å
• α: 107.54 ± 0.006°
• β: 101.733 ± 0.007°
• γ: 100.521 ± 0.006°
• Cell volume: 925.4 ± 1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Duplicate of: 1100888
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No