Information card for entry 7701667

Structure parameters

• Formula: C30 H31 B Fe N6 O2 W
• Calculated formula: C30 H31 B Fe N6 O2 W
• Title of publication: A [C₁ + C₂] route to propargylidyne complexes.
• Authors of publication: Hill, Anthony F.; Manzano, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 19
• Pages of publication: 6596 - 6610
• a: 10.0081 ± 0.0003 Å
• b: 15.9662 ± 0.0005 Å
• c: 18.8514 ± 0.0008 Å
• α: 90°
• β: 92.404 ± 0.004°
• γ: 90°
• Cell volume: 3009.64 ± 0.18 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.1014
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No