Information card for entry 7119334

Structure parameters

• Formula: C66 H106 Br6 P4 W2
• Calculated formula: C66 H106 Br6 P4 W2
• Title of publication: High oxidation state bromocarbyne complexes.
• 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: 4
• Pages of publication: 759 - 762
• a: 11.714 ± 0.0004 Å
• b: 15.844 ± 0.0003 Å
• c: 20.4006 ± 0.0004 Å
• α: 81.812 ± 0.0017°
• β: 88.384 ± 0.002°
• γ: 84.131 ± 0.002°
• Cell volume: 3727.68 ± 0.16 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0446
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No