Information card for entry 7004652

Structure parameters

• Formula: C8 H11 B Br2 N O5 P W
• Calculated formula: C8 H11 B Br2 N O5 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P](Br)(Br)[BH2][N](C)(C)C
• Title of publication: Selective halogenation at the pnictogen atom in Lewis-acid/base-stabilised phosphanylboranes and arsanylboranes
• Authors of publication: Schwan, Karl-Christian; Adolf, Ariane; Thoms, Christine; Zabel, Manfred; Timoshkin, Alexey Y.; Scheer, Manfred
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 37
• Pages of publication: 5054 - 5058
• a: 29.639 ± 0.006 Å
• b: 7.306 ± 0.0015 Å
• c: 20.26 ± 0.004 Å
• α: 90°
• β: 131.96 ± 0.03°
• γ: 90°
• Cell volume: 3262.3 ± 1.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No