Information card for entry 4060067

Structure parameters

• Formula: C24 H39 Cl2 O P2 Rh Zr
• Calculated formula: C24 H39 Cl2 O P2 Rh Zr
• SMILES: [Rh]23(C(=[O][Zr]456789%10%11(Cl)([c]1([cH]4[cH]5[cH]6[cH]71)[P]2(C(C)C)C(C)C)[c]1([cH]%11[cH]%10[cH]9[cH]81)[P]3(C(C)C)C(C)C)C)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: 9.29 ± 0.001 Å
• b: 11.545 ± 0.001 Å
• c: 14.362 ± 0.001 Å
• α: 98.04 ± 0.01°
• β: 97.7 ± 0.01°
• γ: 112.41 ± 0.01°
• Cell volume: 1380.2 ± 0.2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No