Information card for entry 7004651

Structure parameters

• Formula: C8 H11 B Cl2 N O5 P W
• Calculated formula: C8 H11 B Cl2 N O5 P W
• SMILES: [W]([P](Cl)(Cl)[BH2][N](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• 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: 10.178 ± 0.002 Å
• b: 9.543 ± 0.0019 Å
• c: 33.348 ± 0.007 Å
• α: 90°
• β: 93.46 ± 0.03°
• γ: 90°
• Cell volume: 3233.1 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No