Information card for entry 4065802

Structure parameters

• Formula: C34 H59 N2 O12.5 Se4 W
• Calculated formula: C34 H59 N2 O12.5 Se4 W
• SMILES: [W]123([Se]C(=C([Se]1)C(=O)OC)C(=O)OC)([Se]C(=C([Se]2)C(=O)OC)C(=O)OC)[C](#[C]3C(=O)OC)C(=O)OC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.O
• Title of publication: Addition of Dimethyl Acetylenedicarboxylate to the [WSe4]2−Anion
• Authors of publication: Chiu, Wai-Hang; Zhang, Qian-Feng; Williams, Ian D.; Leung, Wa-Hung
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2631
• a: 14.7872 ± 0.001 Å
• b: 17.6187 ± 0.0012 Å
• c: 34.699 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9040.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1246
• 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