Information card for entry 7039041

Structure parameters

• Formula: C43 H47 B8 Cl3 N P2 Rh S
• Calculated formula: C43 H47 B8 Cl3 N P2 Rh S
• SMILES: [Rh]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)S34[BH]567[BH]813[BH]135[BH]596[BH]63([BH]281[H]6)[BH]5([BH]479)[n]1ccccc1C.C(Cl)(Cl)Cl
• 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: 16.0929 ± 0.0011 Å
• b: 10.6606 ± 0.0008 Å
• c: 26.1385 ± 0.0018 Å
• α: 90°
• β: 93.303 ± 0.001°
• γ: 90°
• Cell volume: 4476.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No