Information card for entry 7025425

Structure parameters

• Formula: C27 H36 B2 Cl6 F8 N12 P Rh S6
• Calculated formula: C27 H36 B2 Cl6 F8 N12 P Rh S6
• 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: 10.0886 ± 0.0004 Å
• b: 10.6024 ± 0.0004 Å
• c: 23.2459 ± 0.0008 Å
• α: 102.385 ± 0.002°
• β: 95.605 ± 0.002°
• γ: 100.385 ± 0.002°
• Cell volume: 2364.64 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No