Information card for entry 7106891

Structure parameters

• Common name: (PNP)Rh(ZrCl3)(Cl)
• Formula: C32 H40 Cl4 D6 N P2 Rh Zr
• Calculated formula: C32 H40 Cl4 N P2 Rh Zr
• SMILES: [Rh]123([Zr](Cl)(Cl)(Cl)[N]3(c3c([P]1(C(C)C)C(C)C)cc(C)cc3)c1c([P]2(C(C)C)C(C)C)cc(cc1)C)Cl.c1ccccc1
• 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: 17.021 ± 0.002 Å
• b: 12.9851 ± 0.0015 Å
• c: 19.9047 ± 0.0016 Å
• α: 90°
• β: 123.275 ± 0.007°
• γ: 90°
• Cell volume: 3678 ± 0.7 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: 0.0324
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No