Information card for entry 2206232

Structure parameters

• Chemical name: Di-μ~2~-acetato-bis[μ~2~-N,N'-bis(salicylidene)butane-1,4- diaminato]trimanganese(II)
• Formula: C40 H42 Mn3 N4 O8
• Calculated formula: C40 H42 Mn3 N4 O8
• SMILES: c12c([O]3[Mn]456[N](=C1)CCCC[N]4=Cc1c([O]5[Mn]453([O]=C(O6)C)[O]3c6c(C=[N]7CCCC[N]8=Cc9c([O]4[Mn]378[O]=C(O5)C)cccc9)cccc6)cccc1)cccc2
• Title of publication: Di-μ~2~-acetato-bis[μ~2~-<i>N</i>,<i>N</i>'-bis(salicylidene)butane-1,4-diaminato]trimanganese(II)
• Authors of publication: Ma, Ji-Long; You, Zhong-Lu; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1286 - m1288
• a: 9.19 ± 0.005 Å
• b: 16.756 ± 0.009 Å
• c: 12.69 ± 0.007 Å
• α: 90°
• β: 95.126 ± 0.01°
• γ: 90°
• Cell volume: 1946.3 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0799
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes