Information card for entry 7025423

Structure parameters

• Formula: C19 H34 B N9 O P Rh S3
• Calculated formula: C19 H34 B N9 O P Rh S3
• SMILES: [Rh]1([P](N(C)C)(N(C)C)N(C)C)([S]=C2N([BH](N3C(=[S]1)N(C=C3)C)N1C(=S)N(C=C1)C)C=CN2C)C#[O]
• Title of publication: Fluxional rhodium scorpionate complexes of the hydrotris(methimazolyl)borate (Tm) ligand and their static boratrane derivatives.
• Authors of publication: López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5221 - 5230
• a: 7.8254 ± 0.0016 Å
• b: 12.527 ± 0.003 Å
• c: 14.475 ± 0.003 Å
• α: 75.837 ± 0.007°
• β: 89.881 ± 0.008°
• γ: 85.536 ± 0.008°
• Cell volume: 1371.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0703
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No