Information card for entry 7006371

Structure parameters

• Formula: C51 H68 Ag B Cl2 F4 O2 P2
• Calculated formula: C50 H66 Ag B F4 O2 P2
• SMILES: [Ag]1([P](=Cc2c3oc4c(c3ccc2)cccc4C=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)[OH2].[B](F)(F)(F)[F-]
• Title of publication: 4,6-bis(supermesitylphosphanylidenemethyl)dibenzofuran. Synthesis, X-ray structure and reactivity towards group 11 metals.
• Authors of publication: Deschamps, Eliane; Deschamps, Bernard; Laure Dormieux, Jeanne; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 4
• Pages of publication: 594 - 602
• a: 35.058 ± 0.003 Å
• b: 11.084 ± 0.001 Å
• c: 30.013 ± 0.003 Å
• α: 90°
• β: 116.7 ± 0.002°
• γ: 90°
• Cell volume: 10419 ± 1.7 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0869
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No