Information card for entry 7242769

Structure parameters

• Formula: C32 H54 O4 Rh2 S2
• Calculated formula: C32 H54 O4 Rh2 S2
• SMILES: [Rh]1234567([Rh]89%10%11(S(S1(=O)=O)(=O)=O)([c]1([c]%11([c]%10([c]9([c]81C)C)C)C)CCCCCC)(C6)C7)[c]1([c]2([c]3([c]4([c]51C)C)C)C)CCCCCC
• Title of publication: Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand
• Authors of publication: Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 21
• Pages of publication: 3790 - 3793
• a: 19.7195 ± 0.0004 Å
• b: 8.9435 ± 0.0002 Å
• c: 37.5526 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6622.8 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No