Information card for entry 4310688

Structure parameters

• Formula: C76 H92 Cl4 Cu8 N44 O50
• Calculated formula: C76 H92.08 Cl4 Cu8 N44 O50.02
• Title of publication: Octanuclear and Nonanuclear Supramolecular Copper(II) Complexes with Linear "Tritopic" Ligands: Structural and Magnetic Studies
• Authors of publication: Victoria A. Milway; Virginie Niel; Tareque S. M. Abedin; Zhiqiang Xu; Laurence K. Thompson; Hilde Grove; David O. Miller; Stewart R. Parsons
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1874 - 1884
• a: 21.6448 ± 0.0013 Å
• b: 21.6448 ± 0.0013 Å
• c: 12.9499 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6067 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No