Information card for entry 4060023

Structure parameters

• Common name: [Cu2I2(PCP)]
• Formula: C53 H48 Cl4 Cu2 Fe2 I2 N2 P2
• Calculated formula: C52.966 H47.932 Cl3.932 Cu2 Fe2 I2 N2 P2
• SMILES: [I]1[Cu]234[I][Cu]512[P]([c]12[cH]6[Fe]789%10%11%121([c]2([C@H](N1C45N([C@@H]([c]24[cH]5[Fe]%13%14%15%16%17%182([c]4([P]3(c2ccccc2)c2ccccc2)[cH]%13[cH]5%14)[cH]2[cH]%15[cH]%17[cH]%16[cH]%182)C)C=C1)C)[cH]7[cH]68)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: A Dinuclear Copper(I) Complex Containing a Bridging Chiral Tridentate Carbene Ligand
• Authors of publication: Sebastian Gischig; Antonio Togni
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Pages of publication: 203 - 205
• a: 9.033 ± 0.003 Å
• b: 24.752 ± 0.008 Å
• c: 13.027 ± 0.004 Å
• α: 90°
• β: 104.991 ± 0.006°
• γ: 90°
• Cell volume: 2813.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No