Information card for entry 4327090

Structure parameters

• Formula: C24 H34 B N6 O3 Re S3
• Calculated formula: C24 H34 B N6 O3 Re S3
• Title of publication: Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand
• Authors of publication: Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12284 - 12295
• a: 15.9998 ± 0.0008 Å
• b: 15.9998 ± 0.0008 Å
• c: 19.319 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4283 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No