Information card for entry 4077045

Structure parameters

• Formula: C41 H55 B9 Cl2 N3 P2 Rh Ru S
• Calculated formula: C41 H55 B9 Cl2 N3 P2 Rh Ru S
• SMILES: [Rh]12345([Cl][Ru]6789%10([Cl]1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([cH]%10[cH]9[c]8([cH]7[cH]61)C(C)C)C)[S]12[BH]678[BH]9%10%11[BH]316[BH]149[BH]34%10[BH]67%11[BH]47([H][BH]5137)[BH]286.N#CC.N#CC.N#CC
• Title of publication: Chemistry of a Metallathiaborane Cluster. 5.†Reaction of [8,8-(η2-dppm)-8-(η1-dppm)-nido-8,7-RhSB9H10] and Its Derivatives with Organotransition-Metal Reagents
• Authors of publication: Volkov, Oleg; Rath, Nigam P.; Barton, Lawrence
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 25
• Pages of publication: 5505
• a: 12.781 ± 0.003 Å
• b: 13.405 ± 0.004 Å
• c: 28.45 ± 0.007 Å
• α: 90°
• β: 91.48 ± 0.018°
• γ: 90°
• Cell volume: 4873 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 9
• 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: 0.0933
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No