Information card for entry 7210103

Structure parameters

• Formula: C6 H8 Cu N10 O2
• Calculated formula: C6 H8 Cu N10 O2
• SMILES: [O]1[Cu]2([n]3c(NC=1C)nnn3)n1c(NC(C)=[O]2)nnn1
• Title of publication: Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries
• Authors of publication: Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 4830
• a: 7.0989 ± 0.0014 Å
• b: 9.0946 ± 0.0018 Å
• c: 8.1688 ± 0.0016 Å
• α: 90°
• β: 102.65 ± 0.03°
• γ: 90°
• Cell volume: 514.59 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No