Information card for entry 4073531

Structure parameters

• Formula: C47 H47 B N4 O0.5 P2 Rh S3
• Calculated formula: C47 H47 B N4 O0.5 P2 Rh S3
• SMILES: [RhH]123(S[C]3(=P(c3ccccc3)(c3ccccc3)c3ccccc3)[BH](N3C(=[S]1)N(C=C3)C)N1C(=[S]2)N(C=C1)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC
• Title of publication: Metallaboratranes: The M→B Dative Bond as a Ligand Activating Function in the Phosphaboration of Carbon Monosulfide†
• Authors of publication: Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 16
• Pages of publication: 3891
• a: 12.8506 ± 0.0005 Å
• b: 13.0843 ± 0.0006 Å
• c: 13.9351 ± 0.0006 Å
• α: 85.869 ± 0.003°
• β: 83.163 ± 0.003°
• γ: 75.657 ± 0.002°
• Cell volume: 2251.68 ± 0.17 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1399
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No