Information card for entry 2217749

Structure parameters

• Chemical name: Diacetato[N,N'-bis(2-pyridylmethylidene)cyclohexane-1,2-diamine]manganese(II) hexahydrate
• Formula: C22 H38 Mn N4 O10
• Calculated formula: C22 H38 Mn N4 O10
• SMILES: [Mn]12345(OC(=[O]1)C)([O]=C(O2)C)[n]1ccccc1C=[N]3[C@@H]1CCCC[C@H]1[N]4=Cc1[n]5cccc1.O.O.O.O.O.O.[Mn]12345(OC(=[O]1)C)([O]=C(O2)C)[n]1ccccc1C=[N]3[C@H]1CCCC[C@@H]1[N]4=Cc1[n]5cccc1.O.O.O.O.O.O
• Title of publication: Diacetato[<i>N</i>,<i>N</i>'-bis(2-pyridylmethylidene)cyclohexane-1,2-diamine]manganese(II) hexahydrate
• Authors of publication: Hwang, In-Chul; Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m453
• a: 8.5124 ± 0.0005 Å
• b: 11.6768 ± 0.0007 Å
• c: 15.1971 ± 0.001 Å
• α: 79.049 ± 0.001°
• β: 85.195 ± 0.001°
• γ: 71.484 ± 0.001°
• Cell volume: 1405.83 ± 0.15 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes