Information card for entry 7113820

Structure parameters

• Formula: C14 H33 B10 F4 Rh S2
• Calculated formula: C14 H33 B10 F4 Rh S2
• SMILES: [Rh]1234567([CH]89%10[BH]%11%121[BH]1%138[BH]8%149[BH]92%10[BH]2%10%14[BH]%14%138[C]8%121([S](C)C)[BH]13%11[B]492([S](C)C)[BH]%10%1481)[CH]1=[CH]5CC[CH]6=[CH]7CC1.[B](F)(F)(F)[F-]
• Title of publication: Neutral nido-heteroboranes with non ionisable hydrogen as arenes in coordination
• Authors of publication: Tutusaus, Oscar; Viñas, Clara; Kivekäs, Raikko; Sillanpää, Reijo; Teixidor, Francesc
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 2458 - 2459
• a: 18.025 ± 0.0004 Å
• b: 9.7443 ± 0.0002 Å
• c: 13.7608 ± 0.0002 Å
• α: 90°
• β: 105.872 ± 0.0006°
• γ: 90°
• Cell volume: 2324.82 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104812
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No