Information card for entry 4060708

Structure parameters

• Formula: C49 H78 N8 O9 W2
• Calculated formula: C49 H78 N8 O9 W2
• SMILES: [W]12([O]([W]([O]1c1cnccc1)([O]2c1cccnc1)(C#[O])(C#[O])C#[O])c1cccnc1)(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC.N#CC
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 11.83 ± 0.017 Å
• b: 17.261 ± 0.024 Å
• c: 26.391 ± 0.038 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5388.8 ± 13.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0576
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No