Information card for entry 7106892

Structure parameters

• Formula: C28 H44 Cl8 N P2 Rh Zr
• Calculated formula: C28 H44 Cl8 N P2 Rh Zr
• SMILES: [Rh]1234([Cl][Zr]([Cl]1)([Cl]2)(Cl)(Cl)Cl)[P](C(C)C)(C(C)C)c1cc(C)ccc1N4c1ccc(C)cc1[P+](C(C)C)(C(C)C)C3.ClCCl
• 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: 16.074 ± 0.003 Å
• b: 13.947 ± 0.002 Å
• c: 20.445 ± 0.003 Å
• α: 90°
• β: 124.232 ± 0.01°
• γ: 90°
• Cell volume: 3789.4 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No