Information card for entry 4082669

Structure parameters

• Common name: 14005z
• Formula: C58 H57 B N4 O5 P2 W
• Calculated formula: C58 H57 B N4 O5 P2 W
• SMILES: [W]1([P](c2ccccc2)(c2ccccc2)C[B](c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[N]c1ccccc1N(=O)=O.[N+]12(CCCC1)CCCC2.N#CC
• Title of publication: Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses
• Authors of publication: Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1300
• a: 10.124 ± 0.004 Å
• b: 24.321 ± 0.01 Å
• c: 21.222 ± 0.009 Å
• α: 90°
• β: 96.038 ± 0.005°
• γ: 90°
• Cell volume: 5196 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No