Information card for entry 7034723

Structure parameters

• Formula: C34 H41 B9 Cl2 F6 N O6 P2 Rh S3
• Calculated formula: C34 H37 B9 Cl2 F6 N O6 P2 Rh S3
• Title of publication: [1,1-(η(2)-dppe)-3-(NC5H5)-closo-1,2-RhSB9H8]: conformational lability and reactivity with H2 upon protonation.
• Authors of publication: Mateo, Ana C.; Calvo, Beatriz; Macías, Ramón; Artigas, María José; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 9004 - 9013
• a: 11.2683 ± 0.0015 Å
• b: 20.906 ± 0.003 Å
• c: 39.689 ± 0.005 Å
• α: 90°
• β: 91.817 ± 0.002°
• γ: 90°
• Cell volume: 9345 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.1114
• Weighted residual factors for significantly intense reflections: 0.2482
• Weighted residual factors for all reflections included in the refinement: 0.2554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No