Information card for entry 4075341

Structure parameters

• Formula: C130 H86 B2 F40 O2 P4 Rh2 S2
• Calculated formula: C130 H86 B2 F40 O2 P4 Rh2 S2
• SMILES: [B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(c(F)c1F)F)(c1c(c(F)c(c(c1F)F)F)F)c1c(F)c(c(c(c1F)F)F)F.c1c(ccc(c1)[S]1CC[P](c2ccccc2)(c2ccccc2)[Rh]21[O](c1c(c(cc(c1C)C)C)C)CC[P]2(c1ccccc1)c1ccccc1)[S]1CC[P](c2ccccc2)(c2ccccc2)[Rh]21[O](c1c(c(cc(c1C)C)C)C)CC[P]2(c1ccccc1)c1ccccc1.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Triple-Decker Complexes Formed via the Weak Link Approach.
• Authors of publication: Jeon, You-Moon; Heo, Jungseok; Brown, Aaron M.; Mirkin, Chad A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 2729 - 2732
• a: 12.6015 ± 0.001 Å
• b: 16.0906 ± 0.0013 Å
• c: 17.2636 ± 0.0014 Å
• α: 110.401 ± 0.001°
• β: 105.726 ± 0.001°
• γ: 102.03 ± 0.001°
• Cell volume: 2974.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No