Information card for entry 7210275

Structure parameters

• Formula: C10 H15 Cl Cu N8 O9
• Calculated formula: C10 H15 Cl Cu N8 O9
• SMILES: O(N(=O)=O)[Cu]12([n]3c(C(=[N]1Nc1[n]2nc(Cl)cc1)C)cncc3)([OH2])[OH2].N(=O)(=O)[O-].O
• Title of publication: Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone
• Authors of publication: Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 32
• Pages of publication: 6359
• a: 32.804 ± 0.003 Å
• b: 6.6637 ± 0.0006 Å
• c: 21.391 ± 0.002 Å
• α: 90°
• β: 128.802 ± 0.005°
• γ: 90°
• Cell volume: 3644.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No