Information card for entry 4082046

Structure parameters

• Formula: C30 H30 Fe
• Calculated formula: C30 H30 Fe
• SMILES: [Fe]123456789[c]%10([c]%111[c]2([c]13[c]4%10CC=CC1)CC=CC%11)CC=CC[c]15[c]26[c]7([c]38[c]91CC=CC3)CC=CC2
• Title of publication: Inter- versus Intraannular Ring-Closing Metathesis of Polyallylferrocenes: Five-Fold RCM within a Single Molecule
• Authors of publication: Ogasawara, Masamichi; Wu, Wei-Yi; Arae, Sachie; Nakajima, Kiyohiko; Takahashi, Tamotsu
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6593
• a: 11.789 ± 0.004 Å
• b: 13.797 ± 0.006 Å
• c: 15.242 ± 0.005 Å
• α: 108.086 ± 0.014°
• β: 108.487 ± 0.013°
• γ: 100.641 ± 0.016°
• Cell volume: 2122 ± 1.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.2267
• Weighted residual factors for all reflections included in the refinement: 0.2473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No