Information card for entry 4305969

Structure parameters

• Common name: HJ207
• Formula: C58 H46 B F16 N4 O2 P2 Rh S2
• Calculated formula: C58 H46 B F16 N4 O2 P2 Rh S2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CC[S](c2ccc(cc2)NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[Rh]21[P](c1ccccc1)(c1ccccc1)CC[S]2c1ccc(cc1)NC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F.[B](F)(F)(F)[F-]
• Title of publication: Reversible CO-Induced Chloride Shuttling in RhI Tweezer Complexes Containing Urea-Functionalized Hemilabile Ligands
• Authors of publication: Hyojong Yoo; Chad A. Mirkin; Antonio G. DiPasquale; Arnold L. Rheingold; Charlotte L. Stern
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9727 - 9729
• a: 10.935 ± 0.0015 Å
• b: 14.712 ± 0.002 Å
• c: 18.152 ± 0.002 Å
• α: 89.143 ± 0.002°
• β: 89.683 ± 0.002°
• γ: 79.915 ± 0.002°
• Cell volume: 2874.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No