Information card for entry 4321395

Structure parameters

• Formula: C38 H40 Cl2 Cu4 N6 O
• Calculated formula: C38 H40 Cl2 Cu4 N6 O
• SMILES: [Cu]123[Cu]456[Cu]([Cl][Cu]4[Cl]1)([N](=C1N5C(=[N]2c2ccccc2)CCC1)c1ccccc1)[N](=C1N6C(=[N]3c2ccccc2)CCC1)c1ccccc1.O1CCCC1
• Title of publication: An Infinite Zigzag Chain and the First Linear Chain of Four Copper Atoms; Still No Copper-Copper Bonding
• Authors of publication: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Jiande Gu; Carlos A. Murillo; Hong-Cai Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4488 - 4493
• a: 13.875 ± 0.003 Å
• b: 8.6423 ± 0.0013 Å
• c: 31.85 ± 0.004 Å
• α: 90°
• β: 95.062 ± 0.014°
• γ: 90°
• Cell volume: 3804.3 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.1219
• Weighted residual factors for significantly intense reflections: 0.11
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No