Information card for entry 7701669

Structure parameters

• Chemical name: W(CCCCPh3)(CO)2Tp*
• Formula: C40 H39 B Cl2 N6 O2 W
• Calculated formula: C40 H39 B Cl2 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: 19.0666 ± 0.0002 Å
• b: 12.8247 ± 0.0002 Å
• c: 34.3229 ± 0.0005 Å
• α: 90°
• β: 104.8 ± 0.001°
• γ: 90°
• Cell volume: 8114.3 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No