Information card for entry 2226482

Structure parameters

• Chemical name: (2-Methoxybenzyl)(2-methoxybenzylidene)azanium (2-methoxyphenyl)methanaminium tetrachloridozincate(II) monohydrate
• Formula: C24 H32 Cl4 N2 O4 Zn
• Calculated formula: C24 H32 Cl4 N2 O4 Zn
• SMILES: COc1ccccc1C/[NH+]=C/c1ccccc1OC.COc1ccccc1C[NH3+].[Cl-][Zn](Cl)(Cl)[Cl-].O
• Title of publication: (2-Methoxybenzyl)(2-methoxybenzylidene)azanium (2-methoxyphenyl)methanaminium tetrachloridozincate(II) monohydrate
• Authors of publication: El Glaoui, Meher; Jeanneau, Erwann; Zeller, Matthias; Lefebvre, Frederic; Ben Nasr, Cherif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m791
• a: 8.0884 ± 0.0009 Å
• b: 12.424 ± 0.002 Å
• c: 14.678 ± 0.002 Å
• α: 98.23 ± 0.01°
• β: 97.43 ± 0.01°
• γ: 90.29 ± 0.01°
• Cell volume: 1447.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes