Information card for entry 7052697

Structure parameters

• Formula: C255.85 H119.85 Cl4.3 N13.85 O8 Zn2
• Calculated formula: C255.846 H119.846 Cl4.308 N13.846 O8 Zn2
• Title of publication: Magnetic properties and stability of negatively charged doubly bonded C1202− dimers
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 9
• Pages of publication: 1829
• a: 13.8523 ± 0.0012 Å
• b: 24.2553 ± 0.0011 Å
• c: 25.6268 ± 0.0013 Å
• α: 90°
• β: 100.963 ± 0.006°
• γ: 90°
• Cell volume: 8453.3 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No