Information card for entry 4305970

Structure parameters

• Formula: C62.5 H55 Cl6 F12 N4 O2.5 P2 Rh S2
• Calculated formula: C62.5 H55 Cl6 F12 N4 O2.5 P2 Rh S2
• 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: 18.313 ± 0.002 Å
• b: 16.3262 ± 0.0019 Å
• c: 22.479 ± 0.003 Å
• α: 90°
• β: 96.225 ± 0.002°
• γ: 90°
• Cell volume: 6681.2 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No