Information card for entry 4349272

Structure parameters

• Formula: C88.5 H56 Cl7.5 D2.5 O14 Ru6
• Calculated formula: C88.5 H58.5 Cl7.5 O14 Ru6
• SMILES: [Ru]1234567([Ru]89%10([Ru]%11%121([Ru]28(C#[O])(C#[O])C#[O])([cH]1[c]24[c]43[C@H](c3c8c(c([C@H]([c]%13%14[c]%15%16[Ru]%17%18%19%13([Ru]%13%20([cH](cc[c]%15%18[c]%17([cH]%14%19)[C@H](c%14cc([C@H]([c]6([c]52[cH]%10[cH]9[cH]%12[cH]%111)[cH]74)c1ccc(cc1)C)c1cccccc%141)c1ccc(cc1)C)[cH]%13[cH]%16%20)(C#[O])(C#[O])C#[O])(C#[O])C#[O])c1ccc(cc1)C)c3)ccccc8)c1ccc(cc1)C)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O].ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• 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: 14.509 ± 0.003 Å
• b: 20.059 ± 0.005 Å
• c: 38.318 ± 0.007 Å
• α: 76.4 ± 0.03°
• β: 79.22 ± 0.04°
• γ: 74.38 ± 0.03°
• Cell volume: 10347 ± 4 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2053
• Residual factor for significantly intense reflections: 0.1496
• Weighted residual factors for significantly intense reflections: 0.3331
• Weighted residual factors for all reflections included in the refinement: 0.3664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No