Information card for entry 4074152

Structure parameters

• Formula: C42 H36 F2 O10 P3 Rh
• Calculated formula: C42 H36 F2 O10 P3 Rh
• SMILES: [Rh]12345([c]6([cH]5[cH]4[c]3([cH]2[cH]16)O)O)([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)[P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.P(=O)([O-])(F)F
• Title of publication: Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions
• Authors of publication: Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5276
• a: 10.8432 ± 0.0009 Å
• b: 11.2454 ± 0.0009 Å
• c: 17.9078 ± 0.0015 Å
• α: 105.394 ± 0.001°
• β: 90.398 ± 0.001°
• γ: 107.279 ± 0.001°
• Cell volume: 2001.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No