Information card for entry 4101254

Structure parameters

• Formula: C84 H84 Cl8 Cu4 N4 P4
• Calculated formula: C84 H84 Cl8 Cu4 N4 P4
• SMILES: [Cu]123456[Cu]789%10[Cu]%11%12%131([Cu]27([P]1%11C(=C(C(=C1c1ccccc1)C)C)C(=[N]%10c1ccccc1)C)([P]15%12C(C(=[N]%13c2ccccc2)C)=C(C(=C1c1ccccc1)C)C)[N](=C(C1[P]38C(=C(C=1C)C)c1ccccc1)C)c1ccccc1)[P]149C(C(=[N]6c2ccccc2)C)=C(C(=C1c1ccccc1)C)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: The alpha-iminophospholide ligands.
• Authors of publication: Grundy, Joanna; Donnadieu, Bruno; Mathey, François
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 24
• Pages of publication: 7716 - 7717
• a: 14.9291 ± 0.0003 Å
• b: 17.6446 ± 0.0004 Å
• c: 17.8388 ± 0.0004 Å
• α: 67.097 ± 0.001°
• β: 79.278 ± 0.001°
• γ: 67.324 ± 0.001°
• Cell volume: 3990.42 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No