Information card for entry 4321393

Structure parameters

• Formula: C71 H72 Cl10 Cu6 N12 O
• Calculated formula: C71.18 H28 Cl10 Cu6 N12 O
• 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: 16.907 ± 0.002 Å
• b: 16.427 ± 0.003 Å
• c: 27.349 ± 0.007 Å
• α: 90°
• β: 98.525 ± 0.007°
• γ: 90°
• Cell volume: 7512 ± 3 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: 0.1172
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections: 0.2715
• Weighted residual factors for significantly intense reflections: 0.2464
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No