Information card for entry 7702809

Structure parameters

• Formula: C74 H102 Cl2 Cu4 N8 O20
• Calculated formula: C74 H91 Cl2 Cu4 N8 O20
• Title of publication: Antiferromagnetism induced by successive protonation of terminal phenol groups of a bis(μ-phenoxide)-bridged dicopper(II,II) complex
• Authors of publication: Saimiya, Hiromi; Sunatsuki, Yukinari; Kojima, Masaaki; Kashino, Setsuo; Kambe, Takashi; Hirotsu, Masakazu; Akashi, Haruo; Nakajima, Kiyohiko; Tokii, Tadashi
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 19
• Pages of publication: 3737 - 3742
• a: 17.012 ± 0.001 Å
• b: 17.596 ± 0.001 Å
• c: 26.692 ± 0.002 Å
• α: 90°
• β: 101.711 ± 0.0008°
• γ: 90°
• Cell volume: 7823.7 ± 0.9 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No