Information card for entry 7244380

Structure parameters

• Formula: C15 H14 Br N3 O5 W
• Calculated formula: C15 H14 Br N3 O5 W
• SMILES: [W]12(=O)(=O)(Oc3c(cc(Br)cc3)C=[N]1N=C(O2)c1ccc(cc1)N)[OH]C
• Title of publication: Green solvent free epoxidation of olefins by a heterogenised hydrazone-dioxidotungsten(vi) coordination compound
• Authors of publication: Heydari, Neda; Bikas, Rahman; Shaterian, Maryam; Lis, Tadeusz
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4813 - 4827
• a: 7.663 ± 0.002 Å
• b: 10.481 ± 0.003 Å
• c: 10.845 ± 0.003 Å
• α: 95.43 ± 0.03°
• β: 93.93 ± 0.03°
• γ: 104.74 ± 0.04°
• Cell volume: 834.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No