Information card for entry 7000033

Structure parameters

• Formula: C28 H36 Cl F12 N8 O P2 Rh
• Calculated formula: C28 H36 Cl F12 N8 O P2 Rh
• SMILES: [Rh]123(Cl)([n]4n(C(n5[n]1c(cc5C)C)n1[n]2c(cc1C)C)c(cc4C)C)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OCC
• 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: 8.1797 ± 0.0016 Å
• b: 11.725 ± 0.002 Å
• c: 38.021 ± 0.008 Å
• α: 90°
• β: 92.162 ± 0.004°
• γ: 90°
• Cell volume: 3643.9 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No