Information card for entry 4062300

Structure parameters

• Formula: C35 H25 Fe2 N O2
• Calculated formula: C35 H25 Fe2 N O2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82CN1C(=O)c2cccc3c(C#C[c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[cH]5[cH]%11[cH]%10[cH]9[cH]45)ccc(C1=O)c23
• Title of publication: Tunable Donor-Acceptor Interactions in 4-Ene/Yne-Ferrocenyl and 4-Enamine Naphthalimides with Ferrocenyl Headgroups
• Authors of publication: McAdam, C. John; Morgan, Joy L.; Robinson, Brian H.; Simpson, Jim; Rieger, Philip H.; Rieger, Anne L.
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 24
• Pages of publication: 5126 - 5136
• a: 11.352 ± 0.003 Å
• b: 11.451 ± 0.003 Å
• c: 12.164 ± 0.003 Å
• α: 73.045 ± 0.003°
• β: 65.042 ± 0.003°
• γ: 62.258 ± 0.003°
• Cell volume: 1259.8 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No