Information card for entry 4311680

Structure parameters

• Chemical name: 1,2-ethanediolato(methylamino-N,N-bis(2-methylene-4- methyl-6-tert-butylphenolato)oxotungsten(VI)
• Formula: C27 H39 N O5 W
• Calculated formula: C27 H39 N O5 W
• SMILES: [W]123(=O)(Oc4c(cc(cc4C[N]3(Cc3cc(cc(c3O1)C(C)(C)C)C)C)C)C(C)(C)C)OCCO2
• Title of publication: Tungsten(VI) Complexes with Aminobis(phenolato) [O,N,O] Donor Ligands
• Authors of publication: Ari Lehtonen; Reijo Sillanpää
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6501 - 6506
• a: 35.0371 ± 0.0012 Å
• b: 9.6461 ± 0.0004 Å
• c: 16.8845 ± 0.0005 Å
• α: 90°
• β: 108.104 ± 0.002°
• γ: 90°
• Cell volume: 5424 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No