Information card for entry 7106890

Structure parameters

• Common name: (PNP)Rh(TiCl3)(Cl)
• Formula: C32 H45 Cl4 F N P2 Rh Ti
• Calculated formula: C32 H45 Cl4 F N P2 Rh Ti
• SMILES: [Rh]123([Ti](Cl)(Cl)(Cl)[N]3(c3c([P]2(C(C)C)C(C)C)cc(cc3)C)c2c([P]1(C(C)C)C(C)C)cc(cc2)C)Cl.Fc1ccccc1
• Title of publication: Early-Late Heterobimetallic Rh-Ti and Rh-Zr Complexes via Addition of Early Metal Chlorides to Mono- and Divalent Rhodium
• Authors of publication: and; Dan A. Smith; Oleg V. Ozerov
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10779
• a: 17.2563 ± 0.0014 Å
• b: 12.7259 ± 0.001 Å
• c: 20.0652 ± 0.0012 Å
• α: 90°
• β: 125.229 ± 0.005°
• γ: 90°
• Cell volume: 3599.3 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No