Information card for entry 2214882

Structure parameters

• Chemical name: bis[μ-(<i>E</i>)-1,5-dimethyl-2-phenyl-4-(3-pyridylmethyleneamino)pyrazol-\ 3(2H)-one]bis{dibromido[(<i>E</i>)-1,5-dimethyl-2-phenyl-4-(3-\ pyridylmethyleneamino)pyrazol-3(2H)-one]manganese(II)}
• Formula: C68 H64 Br4 Mn2 N16 O4
• Calculated formula: C68 H64 Br4 Mn2 N16 O4
• SMILES: c1c(ccc[n]1[Mn]1([O]=C2N(N(C(=C2N=Cc2ccc[n](c2)[Mn]([n]2cc(ccc2)/C=N/C2C(=O)N(N(C)C=2C)c2ccccc2)([O]=C2N(N(C(=C2N=Cc2ccc[n]1c2)C)C)c1ccccc1)(Br)Br)C)C)c1ccccc1)(Br)Br)/C=N/C1C(=O)N(N(C)C=1C)c1ccccc1
• Title of publication: A dinuclear manganese(II) complex with a 4-aminoantipyrine-derived Schiff base ligand
• Authors of publication: Wen-Na Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2095 - m2095
• a: 10.052 ± 0.002 Å
• b: 12.372 ± 0.003 Å
• c: 15.257 ± 0.003 Å
• α: 72.68 ± 0.03°
• β: 77.66 ± 0.03°
• γ: 71.09 ± 0.03°
• Cell volume: 1699.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1397
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes