Information card for entry 4335316

Structure parameters

• Formula: C92 H84 Cu4 I4 N8 O4 P4
• Calculated formula: C92 H84 Cu4 I4 N8 O4 P4
• SMILES: CN1C(=[Cu]([I][Cu]2[I][Cu]([I][Cu](=C3N(C=CN3c3cccc(c3)CP(=O)(c3ccccc3)c3ccccc3)C)=C3N(C=CN3c3cccc(c3)CP(=O)(c3ccccc3)c3ccccc3)C)[I]2)=C2N(C=CN2c2cccc(c2)CP(=O)(c2ccccc2)c2ccccc2)C)N(C=C1)c1cccc(c1)CP(=O)(c1ccccc1)c1ccccc1
• Title of publication: Complexes with Hybrid Phosphorus-NHC Ligands: Pincer-Type Ir Hydrides, Dinuclear Ag and Ir and Tetranuclear Cu and Ag Complexes
• Authors of publication: Xianghao Liu; Pierre Braunstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7367 - 7379
• a: 13.003 ± 0.0007 Å
• b: 13.7427 ± 0.0008 Å
• c: 14.3145 ± 0.0006 Å
• α: 72.152 ± 0.003°
• β: 76.698 ± 0.003°
• γ: 63.608 ± 0.002°
• Cell volume: 2167.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1317
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No