Information card for entry 7050521

Structure parameters

• Formula: C36 H24 Cl6 O6 W2
• Calculated formula: C36 H24 Cl6 O6 W2
• SMILES: [W]1(Cl)(Cl)(Cl)(Oc2c(cccc2)c2c(O1)cccc2)Oc1c(cccc1)c1c(O[W]2(Cl)(Cl)(Cl)Oc3c(cccc3)c3c(O2)cccc3)cccc1
• Title of publication: Complexes of 2,2'-biphenol with ruthenium(ii), molybdenum(v), tungsten(v) and tungsten(vi): structures, electrochemistry and spectroscopy
• Authors of publication: Laye, Rebecca H.; Bell, Zöe R.; Ward, Michael D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 684
• a: 9.985 ± 0.002 Å
• b: 22.734 ± 0.005 Å
• c: 16.038 ± 0.003 Å
• α: 90°
• β: 93.85 ± 0.02°
• γ: 90°
• Cell volume: 3632.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0888
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No