Information card for entry 4074151

Structure parameters

• Formula: C42 H36 Cl O12 P2 Rh
• Calculated formula: C42 H36 Cl O12 P2 Rh
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Rh]23456([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)[P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)O)O.Cl(=O)(=O)(=O)[O-]
• 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: 38.6251 ± 0.0016 Å
• b: 38.6251 ± 0.0016 Å
• c: 15.0965 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19505 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2199
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No