Information card for entry 7025422

Structure parameters

• Formula: C32 H33 B Cl2 N6 O P Rh S3
• Calculated formula: C32 H33 B Cl2 N6 O P Rh S3
• SMILES: [Rh]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([S]=C2N([BH](N3C(=[S]1)N(C=C3)C)N1C(=S)N(C=C1)C)C=CN2C)C#[O].C(Cl)Cl
• 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: 9.702 ± 0.0019 Å
• b: 11.763 ± 0.002 Å
• c: 16.687 ± 0.003 Å
• α: 85.91 ± 0.03°
• β: 85.18 ± 0.03°
• γ: 67.44 ± 0.03°
• Cell volume: 1750.9 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.6943 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No