Information card for entry 7033619

Structure parameters

• Chemical name: [2,2,2-(H)2(PPh3)-6-(PPh3)-closo-2,1-RhSB8H7] (3)
• Formula: C36 H39 B8 P2 Rh S
• Calculated formula: C36 H39 B8 P2 Rh S
• SMILES: [RhH2]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)[S]56[BH]781[BH]195[BH]5%10%11[BH]261[BH]14%10[B]237([P](c3ccccc3)(c3ccccc3)c3ccccc3)[BH]895[BH]%1112
• 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: 11.14 ± 0.002 Å
• b: 11.537 ± 0.002 Å
• c: 16.129 ± 0.003 Å
• α: 84.356 ± 0.002°
• β: 76.622 ± 0.002°
• γ: 65.16 ± 0.002°
• Cell volume: 1830.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No