Information card for entry 7007501

Structure parameters

• Formula: C8 H26 Cl2 Cu N4 O
• Calculated formula: C8 H24 Cl2 Cu N4 O
• SMILES: C1C[NH](C)[Cu]2([NH]1C)[NH](C)CC[NH]2C.O.[Cl-].[Cl-]
• Title of publication: Amine mediated proton transfer reaction and C-Cl bond activation of solvent chloroform by a trinuclear copper(II) complex of a glucopyranosylamine derived ligand.
• Authors of publication: Sah, Ajay K.; Tanase, Tomoaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 31
• Pages of publication: 3742 - 3751
• a: 10.668 ± 0.008 Å
• b: 8.306 ± 0.006 Å
• c: 9.478 ± 0.007 Å
• α: 90°
• β: 122.187 ± 0.002°
• γ: 90°
• Cell volume: 710.8 ± 0.9 ų
• Cell temperature: 153.2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No