Information card for entry 4074153

Structure parameters

• Formula: C44 H38 Cl2 F3 O11 P2 Rh S
• Calculated formula: C44 H38 Cl2 F3 O11 P2 Rh S
• 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.S(=O)(=O)([O-])C(F)(F)F.C(Cl)Cl
• 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: 10.5971 ± 0.0009 Å
• b: 13.9524 ± 0.0012 Å
• c: 16.587 ± 0.0014 Å
• α: 74.722 ± 0.001°
• β: 84.604 ± 0.002°
• γ: 70.769 ± 0.001°
• Cell volume: 2233.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No