Information card for entry 4315683

Structure parameters

• Formula: C48 H64 Cu2 Mn2 N16 O23
• Calculated formula: C48 H64 Cu2 Mn2 N16 O23
• Title of publication: One-Pot Synthesis of a New Magnetically Coupled Heterometallic Cu2Mn2[2 x 2] Molecular Grid
• Authors of publication: Yurii S. Moroz; Łukasz Szyrwiel; Serhiy Demeshko; Henryk Kozłowski; Franc Meyer; Igor O. Fritsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4750 - 4752
• a: 13.4188 ± 0.0007 Å
• b: 20.819 ± 0.001 Å
• c: 23.4449 ± 0.0012 Å
• α: 90°
• β: 100.725 ± 0.005°
• γ: 90°
• Cell volume: 6435.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1771
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No