Information card for entry 2205396

Structure parameters

• Chemical name: Bis(tert-butylimido)[2-(dimethylaminomethyl)pyrrol-1-yl]tungsten(VI)-μ-oxo- bis(tert-butylimido)(η^2^-N,O-tert-butylnitroso)tungsten(VI)
• Formula: C27 H57 N7 O2 W2
• Calculated formula: C27 H57 N7 O2 W2
• SMILES: [W]1(O[W]2(O[NH]2C(C)(C)C)(=NC(C)(C)C)=NC(C)(C)C)(n2cccc2C[N]1(C)C)(=NC(C)(C)C)=NC(C)(C)C
• Title of publication: Bis(<i>tert</i>-butylimido)[2-(dimethylaminomethyl)pyrrol-1-yl]tungsten(VI)-μ-oxo-bis(<i>tert</i>-butylimido)(η^2^-<i>N,O</i>-<i>tert</i>-butylnitroso)tungsten(VI)
• Authors of publication: Uno, Chia-Liang; Kuo, Pei-Cheng; Lee, Hon Man; Huang, Jui-Hsien
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m697 - m698
• a: 9.6263 ± 0.0003 Å
• b: 12.0153 ± 0.0003 Å
• c: 15.6375 ± 0.0004 Å
• α: 86.334 ± 0.002°
• β: 79.479 ± 0.002°
• γ: 83.175 ± 0.002°
• Cell volume: 1764.02 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes