Information card for entry 7039042

Structure parameters

• Formula: C55 H74 B8 Cl2 P3 Rh S
• Calculated formula: C55 H74 B8 Cl2 P3 Rh S
• SMILES: [Rh]12(S34[BH]567[BH]813[BH]135[BH]596[BH]63([BH]281[H]6)[BH]5([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[BH]479)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Postsynthetic modifications of [2,2,2-(H)(PPh3)2-closo-2,1-RhSB8H8] with Lewis bases: cluster modular tuning.
• Authors of publication: Luaces, Susana; Passarelli, Vincenzo; Artigas, María José; Lahoz, Fernando J.; Oro, Luis A.; Macías, Ramón
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8622 - 8636
• a: 9.5067 ± 0.0013 Å
• b: 12.22 ± 0.0017 Å
• c: 26.458 ± 0.004 Å
• α: 88.643 ± 0.002°
• β: 81.179 ± 0.002°
• γ: 69.276 ± 0.002°
• Cell volume: 2839.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No