Information card for entry 1100795

Structure parameters

• Formula: C37 H95 B8 Cl5 Co4 N6 Si4
• Calculated formula: C37 H95 B8 Cl5 Co4 N6 Si4
• Title of publication: Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel
• Authors of publication: Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 9
• Pages of publication: 2177 - 2187
• a: 11.562 ± 0.002 Å
• b: 15.644 ± 0.004 Å
• c: 17.925 ± 0.004 Å
• α: 89.85 ± 0.02°
• β: 76.21 ± 0.02°
• γ: 86.52 ± 0.02°
• Cell volume: 3142.7 ± 1.2 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4060289
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No