Information card for entry 7033139

Structure parameters

• Formula: C110 H120 Cl12 Cu8 N8 P4
• Calculated formula: C110 H120 Cl12 Cu8 N8 P4
• SMILES: C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=P(c1ccccc1)([Cu]Cl)[Cu]1[Cl][Cu](P(=C2N(C=CN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)(c2ccccc2)[Cu]2[Cl][Cu](P(=C3N(C=CN3c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)(c3ccccc3)[Cu]3[Cl][Cu](P(=C4N(C=CN4c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)(c4ccccc4)[Cu]Cl)[Cl]3)[Cl]2)[Cl]1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Copper(i), silver(i) and gold(i) complexes of N-heterocyclic carbene-phosphinidene.
• Authors of publication: Adiraju, Venkata A. K.; Yousufuddin, Muhammed; Rasika Dias, H. V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4449 - 4454
• a: 17.8559 ± 0.0014 Å
• b: 16.5326 ± 0.0013 Å
• c: 19.4749 ± 0.0015 Å
• α: 90°
• β: 94.917 ± 0.002°
• γ: 90°
• Cell volume: 5727.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No