Information card for entry 5000290

Structure parameters

• Formula: C16 H29 Cl4 Cu N3
• Calculated formula: C16 H29 Cl4.009 Cu N3
• Title of publication: Cu(I) and Cu(II) complexes of a pyridine-based pincer ligand
• Authors of publication: Vedernikov, Andrei N.; Wu, Peng; Huffman, John C.; Caulton, Kenneth G.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2002
• Journal volume: 330
• Journal issue: 1
• Pages of publication: 103 - 110
• a: 10.7713 ± 0.0003 Å
• b: 16.2507 ± 0.0004 Å
• c: 13.1398 ± 0.0003 Å
• α: 90°
• β: 110.557°
• γ: 90°
• Cell volume: 2153.55 ± 0.1 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections included in the refinement: 0.0221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.5553
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No