Information card for entry 4060066

Structure parameters

• Formula: C43 H63 Cl2 O P2 Rh Zr
• Calculated formula: C43 H63 Cl2 O P2 Rh Zr
• SMILES: [Rh]123(C(=[O][Zr]456789%10%111(Cl)([c]1([cH]4[cH]5[cH]6[cH]71)[P]3(C1CCCCC1)C1CCCCC1)[c]1([cH]%11[cH]%10[cH]9[cH]81)[P]2(C1CCCCC1)C1CCCCC1)C)Cl.c1ccccc1C.c1ccccc1C
• 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: 34.575 ± 0.001 Å
• b: 10.989 ± 0.001 Å
• c: 23.485 ± 0.001 Å
• α: 90°
• β: 109.66 ± 0.01°
• γ: 90°
• Cell volume: 8402.8 ± 0.9 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.0678
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No