Information card for entry 4339123

Structure parameters

• Formula: C21 H18 Mn N5 O3
• Calculated formula: C21 H17 Mn N5 O3
• SMILES: [Mn]123(Oc4ccccc4C=[N]2c2ccccc2[N]3=Cc2ccccc2O1)([OH]C)N=N#N
• Title of publication: Azide-bridged one-dimensional Mn(III) polymers: effects of side group of Schiff base ligands on structure and magnetism.
• Authors of publication: Yuan, Mei; Zhao, Fei; Zhang, Wen; Wang, Zhe-Ming; Gao, Song
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11235 - 11242
• a: 7.9707 ± 0.0016 Å
• b: 10.064 ± 0.002 Å
• c: 12.057 ± 0.002 Å
• α: 97.65 ± 0.03°
• β: 91.31 ± 0.03°
• γ: 91.85 ± 0.03°
• Cell volume: 957.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No