Information card for entry 4342705

Structure parameters

• Formula: C61 H60 Cl Cu3 N15 O10
• Calculated formula: C61 H60 Cl Cu3 N15 O10
• Title of publication: A spin-frustrated trinuclear copper complex based on triaminoguanidine with an energetically well-separated degenerate ground state.
• Authors of publication: Spielberg, Eike T.; Gilb, Aksana; Plaul, Daniel; Geibig, Daniel; Hornig, David; Schuch, Dirk; Buchholz, Axel; Ardavan, Arzhang; Plass, Winfried
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3432 - 3438
• a: 19.8205 ± 0.0011 Å
• b: 19.8205 ± 0.0011 Å
• c: 26.4663 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9004.4 ± 0.9 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No