Information card for entry 4349277

Structure parameters

• Formula: C87 H52 Cl9 D3 O18 Ru8 S
• Calculated formula: C87 H52 Cl9 D3 O18 Ru8 S
• SMILES: [Ru]1234567([Ru]89%10([Ru]%11%121([Ru]28(C#[O])(C#[O])C#[O])([cH]1[c]24[c]5([c]46[cH]7[c]32[C@H](c2sc([C@H]([c]35[Ru]678%13%14%15([Ru]%16%17%18([Ru]%19%206([Ru]7%16(C#[O])(C#[O])C#[O])([cH]6[c]%13([c]3%14[cH]%17[cH]%18[cH]%20[cH]%196)[c@]8([C@H](c3c6c(c([C@H]4c4ccc(cc4)C)c3)ccccc6)c3ccc(cc3)C)[cH]5%15)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])c3ccc(cc3)C)cc2)c2ccc(cc2)C)[cH]9[cH]%10[cH]%12[cH]%111)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O].ClC(Cl)(Cl)[2H].ClC(Cl)(Cl)[2H].ClC(Cl)(Cl)[2H]
• Title of publication: Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.
• Authors of publication: Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 12061 - 12073
• a: 17.93 ± 0.004 Å
• b: 22.426 ± 0.005 Å
• c: 28.007 ± 0.008 Å
• α: 90°
• β: 100.54 ± 0.03°
• γ: 90°
• Cell volume: 11072 ± 5 ų
• Cell temperature: 79.9 ± 0.5 K
• Ambient diffraction temperature: 79.9 ± 0.5 K
• Number of distinct elements: 7
• 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: 0.136
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No