Information card for entry 4309867

Structure parameters

• Chemical name: hexanitrato-opytrizediam-tricopper(II)
• Formula: C48 H38 Cu3 N26 O18
• Calculated formula: C48 H38 Cu3 N26 O18
• Title of publication: Moisture-Triggered 1,3,5-Triazine-Based CuII Molecular Switch: a Combined X-ray Single-Crystal and Powder Diffraction Study
• Authors of publication: Hélène Casellas; Patrick Gamez; Jan Reedijk; Ilpo Mutikainen; Urho Turpeinen; Norberto Masciocchi; Simona Galli; Angelo Sironi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7918 - 7924
• a: 16.83 ± 0.003 Å
• b: 20.701 ± 0.004 Å
• c: 18.17 ± 0.004 Å
• α: 90°
• β: 113.26 ± 0.03°
• γ: 90°
• Cell volume: 5816 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0921
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No