Information card for entry 7206597

Structure parameters

• Formula: C12 H8 Cu3 N14 O6
• Calculated formula: C12 H8 Cu3 N14 O6
• SMILES: c1cccc2n1=[O][Cu]1([N](=N#N)[Cu]4([N]1=N#N)[N](=N#N)[Cu]1([N]4=N#N)[O]=n3ccccc3C(=O)O1)OC2=O
• Title of publication: Two azido-bridged copper(ii) coordination polymers with isonicotinate-N-oxide and picolinate-N-oxide acting as co-ligands
• Authors of publication: Gao, Qian; Xie, Ya-Bo; Thorstad, Melissa; Sun, Ji-Hong; Cui, Yue; Zhou, Hong-Cai
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6787
• a: 5.2676 ± 0.0011 Å
• b: 10.446 ± 0.002 Å
• c: 10.739 ± 0.002 Å
• α: 116.41 ± 0.03°
• β: 103.82 ± 0.03°
• γ: 92.64 ± 0.03°
• Cell volume: 506 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No