Information card for entry 4076866

Structure parameters

• Chemical name: 4,4''-[eta(6)-C6H6Fe(2,3-Et2C2B4H3)-5-]2 C18H12 . 0.5 CH2Cl2
• Formula: C43 H53 B8 Cl2 Fe2
• Calculated formula: C43 H6 B8 Cl2 Fe2
• 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: 21.275 ± 0.002 Å
• b: 14.1869 ± 0.0014 Å
• c: 14.4804 ± 0.0014 Å
• α: 90°
• β: 106.776 ± 0.002°
• γ: 90°
• Cell volume: 4184.6 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No