Information card for entry 4322669

Structure parameters

• Formula: C60 H48 Cu4 F12 N21 P2
• Calculated formula: C60 H48 Cu4 F12 N21 P2
• Title of publication: Polynuclear Complexes of Copper(I) and the 2-(3(5)-Pyrazolyl)-6-methylpyridine Ligand: Structures and Reactivity toward Small Molecules
• Authors of publication: Kuljeet Singh; Jeffrey R. Long; Pericles Stavropoulos
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1073 - 1079
• a: 12.4437 ± 0.0004 Å
• b: 12.682 ± 0.0004 Å
• c: 23.2492 ± 0.0007 Å
• α: 81.433 ± 0.001°
• β: 82.711 ± 0.001°
• γ: 66.632 ± 0.001°
• Cell volume: 3321.16 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 134 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections: 0.1928
• Weighted residual factors for significantly intense reflections: 0.1631
• Goodness-of-fit parameter for all reflections: 1.188
• Goodness-of-fit parameter for significantly intense reflections: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No