Information card for entry 2222984

Structure parameters

• Chemical name: {μ-2-[(Benzothiazol-2-yl-2κ<i>N</i>)hydrazonomethyl-2κ<i>N</i>]-6- methoxyphenolato-1:2κ^3^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^1^}{2-[(benzothiazol- 2-yl-1κ<i>N</i>)hydrazonomethyl-1κ<i>N</i>]-6-methoxyphenolato- 1κ<i>O</i>^1^}(methanol-2κ<i>O</i>)(nitrato-2κ<i>O</i>)dicopper(II) nitrate
• Formula: C31 H28 Cu2 N8 O11 S2
• Calculated formula: C31 H28 Cu2 N8 O11 S2
• SMILES: [Cu]12([N]3=C(N[N]2=Cc2c4[O]1[Cu]15([N]6=C(N[N]1=Cc1c(O5)c(OC)ccc1)Sc1c6cccc1)[O](c4ccc2)C)Sc1c3cccc1)(ON(=O)=O)[OH]C.O=N(=O)[O-]
• Title of publication: {μ-2-[(Benzothiazol-2-yl-2κ<i>N</i>)hydrazonomethyl-2κ<i>N</i>]-6-methoxyphenolato-1:2κ^3^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^1^}{2-[(benzothiazol-2-yl-1κ<i>N</i>)hydrazonomethyl-1κ<i>N</i>]-6-methoxyphenolato-1κ<i>O</i>^1^}(methanol-2κ<i>O</i>)(nitrato-2κ<i>O</i>)dicopper(II) nitrate
• Authors of publication: Lin, Yu-Ching; Hong, Fung-E
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1077
• a: 11.6893 ± 0.0012 Å
• b: 18.9172 ± 0.0018 Å
• c: 16.891 ± 0.0017 Å
• α: 90°
• β: 91.869 ± 0.002°
• γ: 90°
• Cell volume: 3733.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes