Information card for entry 7119547

Structure parameters

• Formula: C33 H55 Br O2 P2 W
• Calculated formula: C33 H56.028 Br O2 P2 W
• Title of publication: An anionic nucleophilic d(4) carbyne complex.
• Authors of publication: Hill, Anthony F.; Kong, Richard Y.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 2032 - 2035
• a: 10.8206 ± 0.0005 Å
• b: 14.492 ± 0.0005 Å
• c: 22.3551 ± 0.0009 Å
• α: 90°
• β: 96.561 ± 0.004°
• γ: 90°
• Cell volume: 3482.6 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0747
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No