Information card for entry 4310690

Structure parameters

• Formula: C120 H134 Cu9 N60 O52
• Calculated formula: C120 H102 Cu9 N60 O52
• 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: 19.0832 ± 0.0016 Å
• b: 19.141 ± 0.0016 Å
• c: 23.4911 ± 0.0019 Å
• α: 76.602 ± 0.002°
• β: 89.71 ± 0.002°
• γ: 89.96 ± 0.002°
• Cell volume: 8347 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1406
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.3126
• Weighted residual factors for all reflections included in the refinement: 0.3464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No