Information card for entry 2224646

Structure parameters

• Chemical name: Aquaazido{3,3'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]di-2- naphtholato}manganese(III)
• Formula: C28 H20 Mn N5 O3
• Calculated formula: C28 H20 Mn N5 O3
• SMILES: [Mn]123([N](=Cc4c(O3)ccc3c4cccc3)c3ccccc3[N]2=Cc2c(O1)ccc1c2cccc1)([OH2])N=N#N
• Title of publication: Aquaazido{3,3'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]di-2-naphtholato}manganese(III)
• Authors of publication: Wang, Cui-Juan; Zhou, Xian-Li; Zhang, Bing-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m50
• a: 6.6827 ± 0.0001 Å
• b: 11.8803 ± 0.0002 Å
• c: 15.3778 ± 0.0003 Å
• α: 99.455 ± 0.001°
• β: 97.692 ± 0.001°
• γ: 98.18 ± 0.001°
• Cell volume: 1176.49 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes