Information card for entry 7119333

Structure parameters

• Formula: C35 H53 Br O2 P2 W
• Calculated formula: C35 H53 Br O2 P2 W
• SMILES: [W]1([P](C2CCCCC2)(C2CCCCC2)CC[P]1(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(Br)#Cc1ccccc1
• 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: 11.41025 ± 0.00011 Å
• b: 13.66762 ± 0.00012 Å
• c: 23.3661 ± 0.0003 Å
• α: 90°
• β: 100.054 ± 0.001°
• γ: 90°
• Cell volume: 3588.01 ± 0.07 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: 0.0343
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No