Information card for entry 8102134

Structure parameters

• Chemical name: aqua(N,N'-disalicylideneethylenediamino)(nicotinato-N)manganese(III)
• Formula: C22 H20 Mn N3 O5
• Calculated formula: C22 H20 Mn N3 O5
• SMILES: [Mn]123([N](=Cc4c(O2)cccc4)CC[N]1=Cc1ccccc1O3)([n]1cccc(c1)C(=O)[O-])[OH2]
• Title of publication: Crystal structure of aqua(N,N'-disalicylideneethylenediamino)(nicotinato- N)manganese(III), Mn(C~6~H~4~NO~2~)(C~16~H~14~N~2~O~2~)(H~2~O)
• Authors of publication: Li, Shu-Ni; Wei, Xiao-Yun; Wang, Xiu-Hang; Hu, Man-Cheng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 241 - 242
• a: 6.5219 ± 0.0005 Å
• b: 17.7925 ± 0.0014 Å
• c: 17.3437 ± 0.0013 Å
• α: 90°
• β: 100.664 ± 0.001°
• γ: 90°
• Cell volume: 1977.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No