Information card for entry 7701889

Structure parameters

• Formula: C14 H17 B N6 O2 W
• Calculated formula: C14 H17 B N6 O2 W
• Title of publication: Relative hemilabilities of H₂B(az)₂ (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C₃H₅)(CO)₂{H₂B(az)₂}] (M = Mo, W).
• Authors of publication: Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 781 - 796
• a: 14.288 ± 0.01 Å
• b: 7.823 ± 0.01 Å
• c: 15.337 ± 0.01 Å
• α: 90°
• β: 101.241 ± 0.01°
• γ: 90°
• Cell volume: 1681 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No