Information card for entry 7006372

Structure parameters

• Formula: C54 H71 B Cl6 Cu F4 N O P2
• Calculated formula: C54 H71 B Cl6 Cu F4 N O P2
• SMILES: [Cu]1([P](=Cc2cccc3c2oc2c3cccc2C=[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)[N]#CC.ClC(Cl)Cl.ClC(Cl)Cl.[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: 11.931 ± 0.001 Å
• b: 14.527 ± 0.001 Å
• c: 19.169 ± 0.001 Å
• α: 107.92 ± 0.001°
• β: 92.03 ± 0.001°
• γ: 109.71 ± 0.001°
• Cell volume: 2939.9 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No