Information card for entry 7708926

Structure parameters

• Formula: C28 H46 O6 Rh2 S2
• Calculated formula: C28 H46 O6 Rh2 S2
• SMILES: [Rh]1234567([Rh]89%10%11(S(S1(=O)=O)(=O)=O)([c]1([c]8([c]9([c]%10([c]%111C)C)C)C)CCCOC)(C6)C7)[c]1([c]2([c]3([c]4([c]51C)C)C)C)CCCOC
• Title of publication: Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.
• Authors of publication: Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 48 - 52
• a: 15.036 ± 0.0006 Å
• b: 19.5219 ± 0.0008 Å
• c: 10.5714 ± 0.0004 Å
• α: 90°
• β: 93.949 ± 0.003°
• γ: 90°
• Cell volume: 3095.7 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No