Information card for entry 4076865

Structure parameters

• Chemical name: 2,5[eta(6)-C6H6Fe(2,3-Et2C2B4H3)-5-]2 C4H2S
• Formula: C28 H50 B8 Fe2 S
• Calculated formula: C28 H30 B8 Fe2 S
• Title of publication: Organotransition-Metal Metallacarboranes. 59.1Synthesis and Linkage of Boron-Functionalized Ferracarborane Clusters
• Authors of publication: Russell, J. Monte; Sabat, Michal; Grimes, Russell N.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 20
• Pages of publication: 4113
• a: 18.6124 ± 0.0005 Å
• b: 18.6124 ± 0.0005 Å
• c: 7.8924 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2367.8 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No