Information card for entry 4324336

Structure parameters

• Formula: C58.16 H76 Br Cu6 F36 N13 O6
• Calculated formula: C58.158 H76 Br Cu6 F36 N13 O6
• 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: 12.6182 ± 0.0017 Å
• b: 12.7454 ± 0.0017 Å
• c: 25.807 ± 0.004 Å
• α: 93.053 ± 0.002°
• β: 99.173 ± 0.002°
• γ: 91.543 ± 0.002°
• Cell volume: 4088.9 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No