Information card for entry 4074156

Structure parameters

• Formula: C50 H56 F6 O10 P2 Rh Sb
• Calculated formula: C50 H56 F6 O10 P2 Rh Sb
• 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.[Sb](F)(F)(F)(F)([F-])F.O(CC)CC.O(CC)CC
• 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: 12.8338 ± 0.0008 Å
• b: 13.2592 ± 0.0009 Å
• c: 17.1585 ± 0.0011 Å
• α: 94.6 ± 0.001°
• β: 99.863 ± 0.001°
• γ: 116.234 ± 0.001°
• Cell volume: 2539.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No