Information card for entry 7718227

Structure parameters

• Formula: C76 H98 Al Cl Fe2
• Calculated formula: C76 H98 Al Cl Fe2
• Title of publication: Monomeric tri-coordinated bis(ferrocenyl)haloalumanes.
• Authors of publication: Anzai, Togo; Sugamata, Koh; Sasamori, Takahiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1360 - 1364
• a: 27.6731 ± 0.0012 Å
• b: 22.0774 ± 0.0006 Å
• c: 11.0682 ± 0.0003 Å
• α: 90°
• β: 100.582 ± 0.003°
• γ: 90°
• Cell volume: 6647.1 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1349
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.4139 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No