Information card for entry 7111424

Structure parameters

• Common name: [Rh2(dimen)4](PF6)2xCH3CN
• Chemical name: dirhodium(I) tetrakis-1,8-diisocyano-p-menthane hexafluorophosphate acetonitrile solvate
• Formula: C50 H75 F12 N9 P2 Rh2
• Calculated formula: C50 H74.992 F12 N9 P2 Rh2
• Title of publication: A very large Rh?Rh bond shortening on excitation of the [Rh2(1,8-diisocyano-p-menthane)4]2+ ion by time-resolved synchrotron X-ray diffraction
• Authors of publication: Coppens, Philip; Gerlits, Oksana; Vorontsov, Ivan I.; Kovalevsky, Andrey Yu.; Chen, Yu-Sheng; Graber, Tim; Gembicky, Milan; Novozhilova, Irina V.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 19
• Pages of publication: 2144 - 2145
• a: 9.4407 ± 0.0006 Å
• b: 13.4608 ± 0.0006 Å
• c: 13.6781 ± 0.0008 Å
• α: 61.9167 ± 0.0007°
• β: 84.9358 ± 0.0008°
• γ: 75.068 ± 0.0011°
• Cell volume: 1480.66 ± 0.14 ų
• Cell temperature: 16 ± 2 K
• Ambient diffraction temperature: 16 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.49594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No