Information card for entry 4075650

Structure parameters

• Formula: C18 H31 B N7 O3 P W
• Calculated formula: C18 H31 B N7 O3 P W
• SMILES: [W]123([P](C)(C)C)(O[C]3(C)C)([n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1)N=O.O=C(C)C
• Title of publication: Dihapto-Coordinated Amide, Ester, and Aldehyde Complexes and Their Role in Decarbonylation
• Authors of publication: Graham, Peter M.; Mocella, Christopher J.; Sabat, Michal; Harman, W. Dean
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 911
• a: 10.4258 ± 0.0006 Å
• b: 13.9196 ± 0.0008 Å
• c: 16.9406 ± 0.001 Å
• α: 90°
• β: 94.861 ± 0.001°
• γ: 90°
• Cell volume: 2449.6 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No