Information card for entry 7000590

Structure parameters

• Formula: C45 H45 P2 Rh
• Calculated formula: C45 H45 P2 Rh
• SMILES: [Rh]1234([P](c5ccccc5)(c5ccccc5)C#CC(C)(C)C)([P](c5ccccc5)(c5ccccc5)C#CC(C)(C)C)[cH]5[cH]1[cH]2[c]13[c]45cccc1
• Title of publication: Synthesis and structure of indenyl rhodium(I) complexes containing unsaturated phosphines: catalyst precursors for alkene hydroboration
• Authors of publication: Garon, Christian N.; McIsaac, Daniel I.; Vogels, Christopher M.; Decken, Andreas; Williams, Ian D.; Kleeberg, Christian; Marder, Todd B.; Westcott, Stephen A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1624 - 1631
• a: 11.06 ± 0.0006 Å
• b: 11.8418 ± 0.0007 Å
• c: 17.1608 ± 0.001 Å
• α: 108.854 ± 0.001°
• β: 92.464 ± 0.001°
• γ: 112.489 ± 0.001°
• Cell volume: 1929.21 ± 0.19 ų
• Cell temperature: 198 ± 1 K
• Ambient diffraction temperature: 198 ± 1 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: 0.0402
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No