Information card for entry 7001082

Structure parameters

• Formula: C32 H68 Mn4 N4 O16
• Calculated formula: C32 H68 Mn4 N4 O16
• SMILES: C1C[N]23CC[O]4[Mn]5673([N]31CC[O]15[Mn]589%10%11[N]%12(CC[N]5(CC[O]%10[Mn]5%10([O]6CC3)([O]78CC%12)OCC(C)(CO5)CO%10)CC[OH]%11)CC[O]9[Mn]3541OCC(CO3)(C)CO5)[OH]CC2.OC.OC
• Title of publication: High-spin tetranuclear MnII2MnIV2 clusters with unique Mn(ii)–Mn(iv) magnetic exchange: synthesis, structures and magnetism
• Authors of publication: Zhou, Ai-Ju; Liu, Jun-Liang; Herchel, Radovan; Leng, Ji-Dong; Tong, Ming-Liang
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3182 - 3192
• a: 12.6698 ± 0.0012 Å
• b: 12.0458 ± 0.0012 Å
• c: 13.7154 ± 0.0013 Å
• α: 90°
• β: 94.795 ± 0.002°
• γ: 90°
• Cell volume: 2085.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No