Information card for entry 4083273

Structure parameters

• Formula: C25 H47 B K O6 P
• Calculated formula: C25 H47 B K O6 P
• SMILES: [K]12345[O]6CC[O]2CC[O]3CC[O]1CC[O]4CC[O]5CC6.[CH]1=[B](P(C(C)(C)C)C(C)(C)C)[CH]=[CH][CH]=[CH]1
• Title of publication: Coordination of a Di-tert-butylphosphidoboratabenzene Ligand to Electronically Unsaturated Group 10 Transition Metals
• Authors of publication: Macha, Bret B.; Boudreau, Josée; Maron, Laurent; Maris, Thierry; Fontaine, Frédéric-Georges
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6428
• a: 14.692 ± 0.003 Å
• b: 22.825 ± 0.004 Å
• c: 9.1192 ± 0.0018 Å
• α: 90°
• β: 100.168 ± 0.002°
• γ: 90°
• Cell volume: 3010 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1065
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No