Information card for entry 2205590

Structure parameters

• Chemical name: Diaqua[(1R,2R)-N,N'-bis(3,5-dibromosalicylidene)cyclohexane-1,2-diamine- κ^4^O,N,N',O']manganese(III) perchlorate dihydrate
• Formula: C20 H24 Br4 Cl Mn N2 O10
• Calculated formula: C20 H16 Br4 Cl Mn N2 O10
• SMILES: Brc1c2O[Mn]34(Oc5c(C=[N]4[C@H]4[C@H]([N]3=Cc2cc(Br)c1)CCCC4)cc(Br)cc5Br)([OH2])[OH2].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Diaqua[(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-bis(3,5-dibromosalicylidene)cyclohexane-1,2-diamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate dihydrate
• Authors of publication: Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m772 - m774
• a: 13.27 ± 0.005 Å
• b: 11.612 ± 0.005 Å
• c: 10.53 ± 0.006 Å
• α: 90°
• β: 112.48 ± 0.03°
• γ: 90°
• Cell volume: 1499.3 ± 1.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes