Information card for entry 4336169

Structure parameters

• Formula: C15 H19 I2 O6 Ru
• Calculated formula: C15 H19 I2 O6 Ru
• SMILES: [Ru]123([O]=C(C)C(=C(O1)C)I)([O]=C(C)C(=C(O2)C)I)OC(=CC(=[O]3)C)C
• Title of publication: Tris(β-diketonato) Ru(III) Complexes as Chiral Dopants for Nematic Liquid Crystals: the Effect of the Molecular Structure on the Helical Twisting Power
• Authors of publication: Jun Yoshida; Go Watanabe; Kaori Kakizawa; Yasuhiro Kawabata; Hidetaka Yuge
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11042 - 11050
• a: 34.044 ± 0.005 Å
• b: 34.044 ± 0.005 Å
• c: 7.401 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8578 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No