Information card for entry 4060058

Structure parameters

• Formula: C24 H42 P2 Zr
• Calculated formula: C24 H42 P2 Zr
• SMILES: [Zr]12345678(C)(C)([c]9([cH]1[cH]2[cH]3[cH]49)P(C(C)C)C(C)C)[c]1([cH]8[cH]7[cH]6[cH]51)P(C(C)C)C(C)C
• 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: 8.68 ± 0.002 Å
• b: 11.311 ± 0.001 Å
• c: 14.041 ± 0.002 Å
• α: 89.14 ± 0.01°
• β: 87.76 ± 0.01°
• γ: 67.47 ± 0.01°
• Cell volume: 1272.4 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.2153
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No