Information card for entry 4336170

Structure parameters

• Formula: C15 H18 I3 O6 Ru
• Calculated formula: C15 H18 I3 O6 Ru
• SMILES: CC1=C(C(C)=[O][Ru]23(O1)(OC(=C(C(=[O]2)C)I)C)[O]=C(C)C(=C(O3)C)I)I
• 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: 12.7944 ± 0.0006 Å
• b: 10.1095 ± 0.0005 Å
• c: 16.1617 ± 0.0007 Å
• α: 90°
• β: 105.61°
• γ: 90°
• Cell volume: 2013.33 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No