Information card for entry 1519130

Structure parameters

• Formula: C17 H10 I2 N2 O3 W
• Calculated formula: C17 H10 I2 N2 O3 W
• SMILES: [W](I)(I)([N]#Cc1ccccc1)([N]#Cc1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: C17H10I2N2O3W
• Authors of publication: Baker, Paul K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1993
• Pages of publication: 1188
• a: 7.815 ± 0.003 Å
• b: 13.839 ± 0.005 Å
• c: 18.475 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1998.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.54
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No