Information card for entry 4333567

Structure parameters

• Common name: LCu2Cl2
• Formula: C28 H32 Cl2 Cu2 N2 O2
• Calculated formula: C28 H32 Cl2 Cu2 N6 O2
• SMILES: [Cu]123[Cl][Cu]45(Cl)[N]6(CC[N]5(CC[N]4(C)Cc5cc(N2C(=O)c2[n]3c(C(=O)N1c3cc(ccc3)C6)ccc2)ccc5)C)C
• Title of publication: Copper-, Palladium-, and Platinum-Containing Complexes of an Asymmetric Dinucleating Ligand
• Authors of publication: Mohammad Reza Halvagar; Benjamin Neisen; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 793 - 799
• a: 7.5013 ± 0.0009 Å
• b: 19.66 ± 0.002 Å
• c: 18.285 ± 0.002 Å
• α: 90°
• β: 94.695 ± 0.002°
• γ: 90°
• Cell volume: 2687.5 ± 0.5 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.56
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No