Information card for entry 7052206

Structure parameters

• Formula: C38 H50 Mn4 N4 O24 P2
• Calculated formula: C38 H50 Mn4 N4 O24 P2
• SMILES: c1cccc2c3cccc[n]3[Mn]345([n]12)[O]1[Mn]267([O]=C(O[Mn]89%10([n]%11ccccc%11c%11cccc[n]9%11)[O]6[Mn]1([O]=P(O3)(O2)C)([O]=C(O5)C)(OP(=[O]7)(O%10)C)OC(=[O]8)C)C)OC(=[O]4)C.OC(=O)C.C(=O)(C)O.OC(=O)C.C(=O)(C)O
• Title of publication: Synthesis and characterization of a family of tetranuclear manganese(iii) phosphonate complexes
• Authors of publication: Wang, Mei; Ma, Chengbing; Yuan, Daqiang; Hu, Mingqiang; Chen, Changneng; Liu, Qiutian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 2103
• a: 17.8554 ± 0.0009 Å
• b: 15.7085 ± 0.0009 Å
• c: 17.7912 ± 0.0009 Å
• α: 90°
• β: 96.224 ± 0.003°
• γ: 90°
• Cell volume: 4960.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No