Information card for entry 2213293

Structure parameters

• Chemical name: <i>trans</i>-N,N'-bis[2-(aminomethyl-κN)benzimidazole-κN^3^)] aquacopper(II) dichloride dihydrate
• Formula: C16 H24 Cl2 Cu N6 O3
• Calculated formula: C16 H24 Cl2 Cu N6 O3
• SMILES: C1c2[n](c3c(cccc3)[nH]2)[Cu]2([NH2]1)([OH2])[NH2]Cc1[n]2c2c(cccc2)[nH]1.O.[Cl-].O.[Cl-]
• Title of publication: <i>trans</i>-Bis[2-(aminomethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]aquacopper(II) dichloride dihydrate
• Authors of publication: Tlahuext, Hugo; Tlahuextl, Margarita; López-Gómez, Sandra; Tapia-Benavides, Antonio R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1263 - m1265
• a: 17.765 ± 0.004 Å
• b: 6.7233 ± 0.0013 Å
• c: 19.074 ± 0.004 Å
• α: 90°
• β: 114.03 ± 0.03°
• γ: 90°
• Cell volume: 2080.7 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes