Information card for entry 7016638

Structure parameters

• Formula: C34 H34 Cl2 O4 Ru2
• Calculated formula: C34 H34 Cl2 O4 Ru2
• SMILES: [Ru]123456(Oc7c8c(O1)ccc1O[Ru]9%10%11%12%13(Oc(c81)c1c7cccc1)(Cl)[c]1([cH]9[cH]%10[c]%11([cH]%12[cH]%131)C(C)C)C)(Cl)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C
• Title of publication: Discrete half-sandwich Ir, Rh-based organometallic molecular boxes: synthesis, characterization, and their properties.
• Authors of publication: Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10370 - 10375
• a: 39.475 ± 0.015 Å
• b: 7.891 ± 0.003 Å
• c: 19.526 ± 0.007 Å
• α: 90°
• β: 92.223 ± 0.006°
• γ: 90°
• Cell volume: 6078 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.663
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No