Information card for entry 4065571

Structure parameters

• Formula: C76 H60 B F24 N2 Rh S
• Calculated formula: C76 H60 B F24 N2 Rh S
• SMILES: [Rh]12345(Sc6c(cccc6c6c(cc(cc6C)C)C)c6c(cc(cc6C)C)C)([n]6ccccc6c6[n]1cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis and Reactions of Coordinatively Unsaturated Half-Sandwich Rhodium and Iridium Complexes Having a 2,6-Dimesitylbenzenethiolate Ligand
• Authors of publication: Sakamoto, Mayumi; Ohki, Yasuhiro; Tatsumi, Kazuyuki
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1761
• a: 14.345 ± 0.004 Å
• b: 15.473 ± 0.004 Å
• c: 17.581 ± 0.005 Å
• α: 102.956 ± 0.002°
• β: 110.459 ± 0.004°
• γ: 91.609 ± 0.003°
• Cell volume: 3538.8 ± 1.7 ų
• Cell temperature: 173.1 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 significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No