Information card for entry 7028045

Structure parameters

• Formula: C16 H10 Br4 N2 O4 W2
• Calculated formula: C16 H10 Br4 N2 O4 W2
• SMILES: [W]1(C#[O])(C#[O])(=Nc2ccccc2)([Br][W](C#[O])(C#[O])(=Nc2ccccc2)([Br]1)Br)Br
• Title of publication: Oxidation of the zwitterionic tungsten amide (OC)5WNPhNPhC(OMe)Ph with Br2 and PCl5. Formation of [(PhN)W(CO)2X2]2 and (PhN)W(CO)2X2L (X = Br or Cl; L = MeCN, Me3C6H2NH2 and i-BuNH2)
• Authors of publication: He, Yingxia; McGowan, Patrick C.; Abboud, Khalil A.; McElwee-White, Lisa
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 20
• Pages of publication: 3373
• a: 7.1118 ± 0.0001 Å
• b: 10.492 Å
• c: 15.7374 ± 0.0001 Å
• α: 90°
• β: 95.079 ± 0.0001°
• γ: 90°
• Cell volume: 1169.67 ± 0.018 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No