Information card for entry 7006345

Structure parameters

• Formula: C14 H16 Cl2 Cu N6 O10
• Calculated formula: C14 H16 Cl2 Cu N6 O10
• Title of publication: One-, two- and three-dimensional Cu(II) complexes built via new oligopyrazinediamine ligands: from antiferromagnetic to ferromagnetic coupling.
• Authors of publication: Ismayilov, Rayyat H.; Wang, Wen-Zhen; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 3
• Pages of publication: 478 - 491
• a: 10.6949 ± 0.0004 Å
• b: 18.1913 ± 0.0007 Å
• c: 21.1585 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4116.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No