Information card for entry 7033618

Structure parameters

• Chemical name: [2,2-(2-C2H4)(PPh3)-6-(PPh3)-closo-2,1-RhSB8H7] (2)
• Formula: C42 H51 B8 O3 P2 Rh S
• Calculated formula: C38 H41 B8 P2 Rh S
• SMILES: [Rh]12345([S]67[BH]89%10[BH]%1116[BH]168[BH]8%129[BH]91[BH]2%116[B]389([P](c1ccccc1)(c1ccccc1)c1ccccc1)[BH]47%10%12)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[CH2]=[CH2]5
• Title of publication: Rhodathiaborane reaction cycles driven by C2H4 and H2: synthesis and characterization of [(H)2(PPh3)RhSB8H7(PPh3)] and [(η(2)-C2H4)(PPh3)RhSB8H7(PPh3)].
• Authors of publication: Luaces, Susana; 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: 11
• Pages of publication: 5041 - 5044
• a: 16.5229 ± 0.0017 Å
• b: 10.901 ± 0.0011 Å
• c: 22.038 ± 0.002 Å
• α: 90°
• β: 105.871 ± 0.002°
• γ: 90°
• Cell volume: 3818.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0885
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No