Information card for entry 7000035

Structure parameters

• Formula: C23 H30 Cl2 F6 N8 P Rh
• Calculated formula: C23 H30 Cl2 F6 N8 P Rh
• SMILES: [Rh]12([n]3n(C(n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C)([n]1ccccc1)(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].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: 8.0197 ± 0.0008 Å
• b: 11.8664 ± 0.0012 Å
• c: 16.0172 ± 0.0016 Å
• α: 90°
• β: 95.709 ± 0.002°
• γ: 90°
• Cell volume: 1516.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No