Information card for entry 7005309

Structure parameters

• Formula: C16 H22 Cl2 Cu N10 O12
• Calculated formula: C16 H22 Cl2 Cu N10 O12
• SMILES: c1c[n]2[Cu]3([n]4c(Nc2cn1)cncc4)([n]1c(Nc2cncc[n]32)cncc1)([OH2])[OH2].Cl(=O)(=O)(=O)[O-].O.Cl(=O)(=O)(=O)[O-].O
• Title of publication: New versatile ligand family, pyrazine-modulated oligo-alpha-pyridylamino ligands, from coordination polymer to extended metal atom chains.
• Authors of publication: Ismayilov, Rayyat Huseyn; Wang, Wen-Zhen; Lee, Gene-Hsiang; Wang, Rui-Ren; Liu, Isiah Po-Chun; Yeh, Chen-Yu; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2898 - 2907
• a: 15.1795 ± 0.0004 Å
• b: 10.8102 ± 0.0003 Å
• c: 15.3382 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2516.9 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No