Information card for entry 7126471

Structure parameters

• Formula: C24 H40 Cl2 Cu2 N2 O3 P2
• Calculated formula: C24 H40 Cl2 Cu2 N2 O3 P2
• SMILES: [Cu]1234[Cu]5([Cl]1)([Cl]2)[P](Oc1[n]5c2[n]4c(O[P]3(C(C)C)C(C)C)ccc2cc1)(C(C)C)C(C)C.O1CCCC1
• Title of publication: Unexpected reactivity of a PONNOP 'expanded pincer' ligand.
• Authors of publication: Scheerder, Arthur R.; Lutz, Martin; Broere, Daniël L J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 59
• Pages of publication: 8198 - 8201
• a: 17.8896 ± 0.0005 Å
• b: 11.8315 ± 0.0003 Å
• c: 14.1427 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2993.46 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No