Information card for entry 2215755

Structure parameters

• Chemical name: μ-Chlorido-bis({<i>N</i>-benzyl-<i>N</i>'-[2-(benzylamino)ethyl]ethane- 1,2-diamine}chloridocopper(II))
• Formula: C36 H50 Cl4 Cu2 N6
• Calculated formula: C36 H50 Cl4 Cu2 N6
• SMILES: C1[NH](Cc2ccccc2)[Cu]2(Cl)([NH](CC[NH]2C1)Cc1ccccc1)[Cl][Cu]12([NH](CC[NH]1CC[NH]2Cc1ccccc1)Cc1ccccc1)Cl.[Cl-]
• Title of publication: μ-Chlorido-bis({<i>N</i>-benzyl-<i>N</i>'-[2-(benzylamino)ethyl]ethane-1,2-diamine}chloridocopper(II)) chloride
• Authors of publication: Liu, Yu-Fen; Xia, Hai-Tao; Wang, Da-Qi; Yang, Shu-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2805 - m2806
• a: 25.584 ± 0.003 Å
• b: 7.4506 ± 0.0011 Å
• c: 11.5739 ± 0.0015 Å
• α: 90°
• β: 113.926 ± 0.002°
• γ: 90°
• Cell volume: 2016.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes