Information card for entry 2011222

Structure parameters

• Formula: C110 H126 N6 O24 Ru
• Calculated formula: C110 H126 N6 O24 Ru
• SMILES: [Ru]123([N]4=C5C(=C6[N]3=C(C(=C3[N]2=C(C(=C2[N]1=C(C(=C4C=C5)c1c(OC[C@@H]4OC(OC4)(C)C)cccc1OC[C@@H]1OC(OC1)(C)C)C=C2)c1c(OC[C@@H]2OC(OC2)(C)C)cccc1OC[C@@H]1OC(OC1)(C)C)C=C3)c1c(OC[C@@H]2OC(OC2)(C)C)cccc1OC[C@@H]1OC(OC1)(C)C)C=C6)c1c(OC[C@@H]2OC(OC2)(C)C)cccc1OC[C@@H]1OC(OC1)(C)C)(C#[N][C@@H](c1ccccc1)C)C#[N][C@@H](c1ccccc1)C
• Title of publication: Bis[(<i>R</i>)-1-phenylethyl isocyanido](5,10,15,20-tetrakis{2,6-bis[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-ylmethyloxy]phenyl}porphyrin)ruthenium(II) at 110K
• Authors of publication: Galardon, Erwan; Lukas, Michael; Le Maux, Paul; Toupet, Loïc; Roisnel, Thierry; Simonneaux, Gerard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 955 - 956
• a: 18.5099 ± 0.0002 Å
• b: 15.0831 ± 0.0002 Å
• c: 18.5766 ± 0.0002 Å
• α: 90°
• β: 90.5023 ± 0.0006°
• γ: 90°
• Cell volume: 5186.14 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No