Information card for entry 7210788

Structure parameters

• Formula: C36 H52 Mn4 N4 O18
• Calculated formula: C36 H52 Mn4 N4 O18
• SMILES: O([Mn]12([O]3C(=O)C[N]45CCC[N]67Cc8c9c(cc(C)c8)C[N]8%10CCC[N]%11%12Cc%13c(c(cc(C)c%13)C4)[O]4%13[Mn]%14([O](C(=O)C6)[Mn]3574[O]19[Mn]%10%12%13([O]2C(=O)C%11)[O]%14C(=O)C8)(OC(=O)C)([OH2])[OH2])([OH2])[OH2])C(=O)C
• Title of publication: A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties
• Authors of publication: Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 25
• Pages of publication: 5168
• a: 10.2072 ± 0.0009 Å
• b: 10.7719 ± 0.0007 Å
• c: 11.5617 ± 0.0008 Å
• α: 114.506 ± 0.007°
• β: 109.613 ± 0.007°
• γ: 97.489 ± 0.006°
• Cell volume: 1034.31 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No