Information card for entry 4324338

Structure parameters

• Formula: C66 H36 Cu6 F36 N14 O8 P2
• Calculated formula: C264 H168 Cu24 F144 N56 O32 P8
• Title of publication: Halide and Nitrite Recognizing Hexanuclear Metallacycle Copper(II) Pyrazolates
• Authors of publication: Ahmed A. Mohamed; Simone Ricci; Alfredo Burini; Rossana Galassi; Carlo Santini; Gina M. Chiarella; Doris Y. Melgarejo; John P. Fackler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1014 - 1020
• a: 22.366 ± 0.007 Å
• b: 13.967 ± 0.007 Å
• c: 29.09 ± 0.012 Å
• α: 90°
• β: 112.246 ± 0.011°
• γ: 90°
• Cell volume: 8411 ± 6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No