Information card for entry 7000369

Structure parameters

• Formula: C17 H13 N O6 S W
• Calculated formula: C17 H13 N O6 S W
• SMILES: [W](=C(OCC)c1sc(cc1)c1n(ccc1)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and reactivity of metal carbene complexes with heterobiaryl spacer substituents
• Authors of publication: Lotz, Simon; Crause, Chantelle; Olivier, Andrew J.; Liles, David C.; Görls, Helmar; Landman, Marilé; Bezuidenhout, Daniela I.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 4
• Pages of publication: 697
• a: 7.4036 ± 0.0002 Å
• b: 12.8191 ± 0.0003 Å
• c: 19.3686 ± 0.0005 Å
• α: 90°
• β: 96.655 ± 0.002°
• γ: 90°
• Cell volume: 1825.84 ± 0.08 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No