Information card for entry 2233226

Structure parameters

• Chemical name: {<i>N</i>'-[(2-Oxidonaphthalen-1-yl)methylidene]benzohydrazidato}(1,10- phenanthroline)copper(II) methanol monosolvate
• Formula: C31 H24 Cu N4 O3
• Calculated formula: C31 H24 Cu N4 O3
• SMILES: [Cu]123([N](N=C(O1)c1ccccc1)=Cc1c4c(ccc1O2)cccc4)[n]1c2c4c(ccc2ccc1)ccc[n]34.OC
• Title of publication: {<i>N</i>'-[(2-Oxidonaphthalen-1-yl)methylidene]benzohydrazidato}(1,10-phenanthroline)copper(II) methanol monosolvate
• Authors of publication: Liu, Bao-Lin; Dong, De-Ming; Hua, Xiu-Yi; Zhu, Jian-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m86
• a: 20.388 ± 0.002 Å
• b: 9.9707 ± 0.001 Å
• c: 12.5268 ± 0.0012 Å
• α: 90°
• β: 105.035 ± 0.002°
• γ: 90°
• Cell volume: 2459.3 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0794
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes