Information card for entry 4333566

Structure parameters

• Common name: LH2CuCl
• Formula: C29 H36 Cl3 Cu N6 O2
• Calculated formula: C29 H36 Cl3 Cu N6 O2
• SMILES: c12cccc(C(=O)Nc3cccc(c3)CN(C)CC[N](C)(CCN(C)Cc3cccc(c3)NC1=O)[Cu]Cl)n2.C(Cl)Cl
• 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: 12.3581 ± 0.0012 Å
• b: 9.4349 ± 0.0009 Å
• c: 27.051 ± 0.003 Å
• α: 90°
• β: 96.863 ± 0.001°
• γ: 90°
• Cell volume: 3131.5 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No