Information card for entry 1513307

Structure parameters

• Formula: C29 H15 O9 Ru4 S2
• Calculated formula: C29 H15 O9 Ru4 S2
• SMILES: [Ru]1234567([Ru]89%10%11([Ru]%12%131([Ru]28(C#[O])(C#[O])C#[O])([c]1%11[cH]%10[cH]9[c]27[c]3([cH]4[c]5([c]62[cH]%13[cH]%121)c1sccc1C)c1sccc1C)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Post-coordination of multinuclear transitional metal clusters to azulene-based polymers: a novel strategy for tuning properties in π-conjugated polymers
• Authors of publication: Wang, Fuke; Lai, Yee-Hing; Han, Ming Yong
• Journal of publication: Organic Letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 25
• Pages of publication: 4791 - 4794
• a: 9.1307 ± 0.0005 Å
• b: 15.8717 ± 0.0008 Å
• c: 23.0328 ± 0.0012 Å
• α: 103.02 ± 0.001°
• β: 97.18 ± 0.001°
• γ: 97.46 ± 0.001°
• Cell volume: 3183.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1507397
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No