Information card for entry 2017784

Structure parameters

• Formula: C25 H41 Cl P Rh
• Calculated formula: C25 H41 Cl P Rh
• SMILES: [Rh]123(Cl)([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)[CH]4=[CH]1C1[CH]2=[CH]3C4C1
• Title of publication: Bond catastrophes in rhodium complexes: experimental charge-density studies of [Rh(C~7~H~8~)(P^<i>t^</i>Bu~3~)Cl] and [Rh(C~7~H~8~)(PCy~3~)Cl]
• Authors of publication: Sparkes, Hazel A.; Chaplin, Adrian B.; Weller, Andrew S.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: 503 - 514
• a: 10.21309 ± 0.00007 Å
• b: 15.82275 ± 0.00008 Å
• c: 14.64123 ± 0.00008 Å
• α: 90°
• β: 97.7784 ± 0.0006°
• γ: 90°
• Cell volume: 2344.24 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for all reflections included in the refinement: 0.013
• RFsqd: 0.02
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes