Information card for entry 7000036

Structure parameters

• Formula: C32 H41 Cl F12 N11 P2 Rh
• Calculated formula: C32 H41 Cl F12 N11 P2 Rh
• SMILES: [Rh]12(Cl)([n]3n(C(n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C)([n]1ccccc1)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC
• Title of publication: A convenient synthetic route to half-sandwich rhodium(III) complexes of the tripodal ligand tris(3,5-dimethylpyrazolyl)methane.
• Authors of publication: Gonzalez, Veronica; Adams, Harry; Thomas, Jim A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 110 - 115
• a: 11.822 ± 0.004 Å
• b: 10.362 ± 0.004 Å
• c: 36.801 ± 0.013 Å
• α: 90°
• β: 96.243 ± 0.008°
• γ: 90°
• Cell volume: 4481 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1482
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No