Information card for entry 4300014

Structure parameters

• Formula: C54 H48 Br Cu3 F12 N9 O3 P2
• Calculated formula: C54 H48 Br0.33 Cu3 F12 N9 O3 P0.66
• Title of publication: A Cu(II)-Mediated C-H Oxygenation of Sterically Hindered Tripyridine Ligands To Form Triangular Cu(II)3 Complexes
• Authors of publication: Masahito Kodera; Yoshimitsu Tachi; Toshio Kita; Hiromu Kobushi; Yoshinori Sumi; Koji Kano; Motoo Shiro; Masayuki Koikawa; Tadashi Tokii; Masaaki Ohba; Hisashi Okawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 226 - 234
• a: 14.26 ± 0.002 Å
• b: 14.2602 Å
• c: 17.693 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3115.9 ± 0.7 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 8
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.0876
• Goodness-of-fit parameter for significantly intense reflections: 3.543
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No