Information card for entry 4304407

Structure parameters

• Formula: C58 H90 N2 O4 W2
• Calculated formula: C58 H90 N2 O4 W2
• SMILES: N1=[W](CC(C)(C)C)(Oc2c(C(C)C)cccc2C(C)C)(Oc2c(C(C)C)cccc2C(C)C)N=[W]1(CC(C)(C)C)(Oc1c(C(C)C)cccc1C(C)C)Oc1c(C(C)C)cccc1C(C)C
• Title of publication: A Tungsten(VI) Nitride Having a W2(μ-N)2 Core
• Authors of publication: Zachary J. Tonzetich; Richard R. Schrock; Keith M. Wampler; Brad C. Bailey; Christopher C. Cummins; Peter Müller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1560 - 1567
• a: 14.022 ± 0.003 Å
• b: 18.198 ± 0.003 Å
• c: 22.17 ± 0.004 Å
• α: 90°
• β: 92.105 ± 0.003°
• γ: 90°
• Cell volume: 5653.4 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No