Information card for entry 7120662

Structure parameters

• Formula: C64 H106 As Na O12 W
• Calculated formula: C64 H106 As Na O12 W
• SMILES: O([W](Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)#[As])c1c(cccc1C(C)C)C(C)C.C[O]1CC[O](C)[Na]231([O](C)CC[O]2C)[O](C)CC[O]3C.C1COCCO1
• Title of publication: Terminal tungsten pnictide complex formation through pnictaethynolate decarbonylation
• Authors of publication: Cummins, Christopher; Transue, Wesley J.; Joost, Maximilian
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 57.2329 ± 0.0015 Å
• b: 18.4351 ± 0.0006 Å
• c: 38.9112 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 41055 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No