Information card for entry 4311682

Structure parameters

• Chemical name: cis-dichloro(methylamino-N,N-bis(2-methylene-4,6-di- methylphenolato)oxotungsten(VI)
• Formula: C19 H23 Cl2 N O3 W
• Calculated formula: C19 H23 Cl2 N O3 W
• SMILES: [W]12(Cl)(Cl)(=O)Oc3c(cc(cc3C[N]2(Cc2cc(cc(c2O1)C)C)C)C)C
• 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: 14.0191 ± 0.0003 Å
• b: 15.4816 ± 0.0002 Å
• c: 18.299 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3971.58 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No