Information card for entry 4060061

Structure parameters

• Formula: C28 H48 Cl6 P2 Zr
• Calculated formula: C28 H48 Cl6 P2 Zr
• SMILES: [c]12([cH]3[Zr]4567891(Cl)([c]1([cH]4[cH]5[cH]7[cH]91)P(C(C)(C)C)C(C)(C)C)([cH]3[cH]6[cH]28)Cl)P(C(C)(C)C)C(C)(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework
• Authors of publication: Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Pages of publication: 214 - 225
• a: 24.693 ± 0.001 Å
• b: 17.604 ± 0.001 Å
• c: 8.137 ± 0.001 Å
• α: 90°
• β: 96.65 ± 0.01°
• γ: 90°
• Cell volume: 3513.3 ± 0.5 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No