Information card for entry 7115138

Structure parameters

• Formula: C31 H24 O20 Ru6
• Calculated formula: C31 H24 O20 Ru6
• SMILES: [Ru]123456789([Ru]%10%11%12([Ru]%13%14%15([Ru]%16%17%18%191([Ru]2%10%13([C]4%12%15%17[Ru]3%11%14%16(C#[O])(C#[O])C%19=O)(C%18=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[c]12OCCOCCOCCOCCOCCO[c]92[cH]8[cH]7[cH]6[cH]51
• Title of publication: New linked and threaded cluster compounds
• Authors of publication: Johnson, Brian F. G.; Judkins, Catherine M. G.; Matters, Justin M.; Shephard, Douglas S.; Parsons, Simon
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 1549
• a: 19.1672 ± 0.0008 Å
• b: 14.8037 ± 0.0006 Å
• c: 27.0061 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7662.9 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections: 0.1796
• Weighted residual factors for significantly intense reflections: 0.1537
• Goodness-of-fit parameter for all reflections: 1.019
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No