Information card for entry 4074157

Structure parameters

• Formula: C48 H40 B F4 O8 P2 Rh
• Calculated formula: C48 H40 B F4 O8 P2 Rh
• SMILES: [Rh]12345([c]6([cH]5[cH]4[c]3([cH]2[cH]16)c1ccc(cc1)O)O)([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)[P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.[B](F)(F)(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: 17.96 ± 0.005 Å
• b: 11.306 ± 0.003 Å
• c: 23.267 ± 0.007 Å
• α: 90°
• β: 105.502 ± 0.005°
• γ: 90°
• Cell volume: 4553 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1886
• Residual factor for significantly intense reflections: 0.1212
• Weighted residual factors for significantly intense reflections: 0.2917
• Weighted residual factors for all reflections included in the refinement: 0.3183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No