Information card for entry 7000367

Structure parameters

• Formula: C26 H20 N2 O12 W2
• Calculated formula: C26 H20 N2 O12 W2
• SMILES: [W](=C(c1ccc(n1C)c1ccc(C(=[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])OCC)n1C)OCC)(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: 17.7003 ± 0.0006 Å
• b: 12.5957 ± 0.0004 Å
• c: 13.4575 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3000.32 ± 0.15 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No