Information card for entry 7007499

Structure parameters

• Formula: C5 H25 Cl2 Cu N5
• Calculated formula: C5 H25 Cl2 Cu N5
• SMILES: C[NH2][Cu]([NH2]C)([NH2]C)([NH2]C)[NH2]C.[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: 14.0065 ± 0.001 Å
• b: 11.6044 ± 0.0011 Å
• c: 8.5136 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1383.78 ± 0.18 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.735
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No