Information card for entry 2217560

Structure parameters

• Chemical name: Bis{μ-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethylidyne]diphenolato- κ^5^O,N,N',O':O}bis[chloridomanganese(III)]
• Formula: C36 H36 Cl2 Mn2 N4 O4
• Calculated formula: C36 H36 Cl2 Mn2 N4 O4
• SMILES: [Mn]1234(Cl)[N](=C(c5c(cccc5)O2)C)CC[N]1=C(C)c1ccccc1[O]3[Mn]123(Cl)[N](=C(c5c(cccc5)O2)C)CC[N]1=C(C)c1ccccc1[O]34
• Title of publication: Bis{μ-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethylidyne]diphenolato-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>}bis[chloridomanganese(III)]
• Authors of publication: Thampidas, V. S.; Radhakrishnan, T.; Pike, Robert D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m307 - m307
• a: 7.8261 ± 0.0003 Å
• b: 9.8046 ± 0.0003 Å
• c: 11.2372 ± 0.0004 Å
• α: 97.207 ± 0.002°
• β: 94.701 ± 0.002°
• γ: 108.081 ± 0.002°
• Cell volume: 806.49 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes